| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | P | 40.6 | Very low | 77.7 | Confident | 113 Ų | 113 | 42 Ų | 42 | 73% | 0.734 | 22% | 0.218 | S | C | * | . | 0 | 125.9 | 0 | -15.8 | 31.2 | 0 | 0 | 0 | 109.6 | M26 | P1-M26 HydrophobicContact CB-CB 3.92Å; P1-M26 HydrophobicContact CB-CG 4.21Å; P1-M26 HydrophobicContact CG-CB 4.1Å; P1-M26 HydrophobicContact CG-CG 4.36Å; P1-M26 WeakPolarHBondContact O-CG 3.22Å | |||
| 2 | V | 57.5 | Low | 78.4 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | trans | -92 | 141.7 | -172.6 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | S30 M31 W663 Q671 | V2-S30 CarbonylContact O-C 3.6Å; V2-M31 HydrophobicContact CB-CE 3.55Å; V2-M31 HydrophobicContact CB-SD 4.25Å; V2-M31 HydrophobicContact CG1-CE 3.42Å; V2-M31 VanDerWaalsContact CG1-CE 3.42Å; V2-M31 PolarHBondContact O-N 3.18Å; V2-W663 HydrophobicContact CB-CG 4.25Å; V2-W663 HydrophobicContact CG1-CB 3.91Å; V2-W663 HydrophobicContact CG1-CD2 3.96Å; V2-W663 HydrophobicContact CG1-CE3 4.32Å; V2-W663 HydrophobicContact CG1-CG 3.77Å; V2-W663 HydrophobicContact CG2-CB 4.22Å; V2-W663 HydrophobicContact CG2-CG 3.86Å; V2-Q671 HydrophobicContact CG2-CB 3.56Å; V2-Q671 HydrophobicContact CG2-CG 4.16Å | ||
| 3 | F | 66.9 | Low | 79.1 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | trans | -116.9 | 156.3 | 172.3 | 58.1 | -67.3 | 0 | 0 | 0 | 110.5 | P5 F25 M26 S30 H34 L527 | F3-P5 VanDerWaalsContact O-CD 3.28Å; F3-P5 WeakPolarHBondContact O-CD 3.47Å; F3-F25 HydrophobicContact CE1-CE1 4.33Å; F3-M26 HydrophobicContact CB-CE 3.41Å; F3-M26 VanDerWaalsContact CB-CE 3.41Å; F3-M26 HydrophobicContact CD1-CE 3.12Å; F3-M26 HydrophobicContact CD1-SD 3.5Å; F3-M26 VanDerWaalsContact CD1-SD 3.5Å; F3-M26 HydrophobicContact CD2-CE 4.47Å; F3-M26 HydrophobicContact CE1-CE 3.96Å; F3-M26 HydrophobicContact CE1-SD 3.74Å; F3-M26 HydrophobicContact CG-CE 3.44Å; F3-M26 VanDerWaalsContact CG-CE 3.44Å; F3-M26 HydrophobicContact CG-SD 4.34Å; F3-S30 WeakPolarHBondContact CA-O 3.44Å; F3-H34 AromaticContact CD2-CD2 3.34Å; F3-H34 WeakPolarHBondContact CD2-CD2 3.35Å; F3-H34 AromaticContact CD2-NE2 3.85Å; F3-H34 AromaticContact CG-CD2 3.96Å; F3-L527 HydrophobicContact CZ-CD1 4.25Å | ||
| 4 | L | 73.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -56.2 | 115.3 | 161.6 | -175.4 | 67.3 | 0 | 0 | 0 | 109.8 | V6 S30 V624 L627 T647 | L4-V6 HydrophobicContact CB-CG2 4.26Å; L4-V6 HydrophobicContact CD2-CG2 3.41Å; L4-V6 VanDerWaalsContact CD2-CG2 3.41Å; L4-V6 HydrophobicContact CG-CG2 3.55Å; L4-V6 PolarHBondContact O-N 2.92Å; L4-S30 PolarHBondContact N-O 3.12Å; L4-V624 HydrophobicContact CD1-CG2 4.29Å; L4-L627 HydrophobicContact CD2-CD2 3.83Å; L4-T647 HydrophobicContact CD1-CG2 3.31Å; L4-T647 HydrophobicContact CD2-CG2 3.52Å; L4-T647 HydrophobicContact CG-CG2 3.96Å | ||
| 5 | P | 76.8 | Confident | 80.5 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | trans | -79.8 | 61.4 | -172.8 | 32.5 | -35 | 0 | 0 | 0 | 112.3 | F3 Y53 P673 D675 | F3-P5 VanDerWaalsContact O-CD 3.28Å; F3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-Y53 HydrophobicContact CG-CD2 4.13Å; P5-Y53 HydrophobicContact CG-CE2 3.66Å; P5-P673 HydrophobicContact CB-CB 4.34Å; P5-P673 HydrophobicContact CG-CB 4.33Å; P5-D675 WeakPolarHBondContact CG-OD2 3.28Å | ||
| 6 | V | 85.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 127.8 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | L4 Y8 H34 A51 S52 T645 | L4-V6 HydrophobicContact CB-CG2 4.26Å; L4-V6 HydrophobicContact CD2-CG2 3.41Å; L4-V6 VanDerWaalsContact CD2-CG2 3.41Å; L4-V6 HydrophobicContact CG-CG2 3.55Å; L4-V6 PolarHBondContact O-N 2.92Å; V6-Y8 HydrophobicContact CB-CD2 4.13Å; V6-Y8 HydrophobicContact CB-CE2 3.68Å; V6-Y8 HydrophobicContact CG1-CD2 3.81Å; V6-Y8 HydrophobicContact CG1-CE2 3.57Å; V6-H34 HydrophobicContact CG2-CB 4.43Å; V6-A51 HydrophobicContact CG1-CB 3.75Å; V6-S52 WeakPolarHBondContact CA-O 3.45Å; V6-T645 HydrophobicContact CG2-CG2 4.31Å |
| 7 | N | 88.8 | Confident | 82 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122 | 166 | -174.9 | 59 | 0 | 0 | 0 | 109.6 | S52 R579 | N7-S52 PolarHBondContact N-O 3.18Å; N7-S52 PolarHBondContact O-N 3.36Å; N7-S52 PolarHBondContact O-OG 3.38Å; N7-R579 PolarHBondContact OD1-NH1 3.11Å |
| 8 | Y | 91.3 | Very high | 82.6 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.5 | 178.9 | -73.4 | -105.8 | 0 | 0 | 0 | 111.2 | V6 F17 H34 Q36 V49 N50 A51 M629 A643 T645 | V6-Y8 HydrophobicContact CB-CD2 4.13Å; V6-Y8 HydrophobicContact CB-CE2 3.68Å; V6-Y8 HydrophobicContact CG1-CD2 3.81Å; V6-Y8 HydrophobicContact CG1-CE2 3.57Å; Y8-F17 WeakPolarHBondContact O-CZ 3.12Å; Y8-H34 AromaticContact CE2-ND1 3.28Å; Y8-H34 VanDerWaalsContact CE2-ND1 3.28Å; Y8-H34 WeakPolarHBondContact CE2-ND1 3.44Å; Y8-H34 AromaticContact CZ-ND1 3.79Å; Y8-H34 PolarHBondContact OH-O 3.02Å; Y8-Q36 HydrophobicContact CD1-CB 3.97Å; Y8-Q36 HydrophobicContact CD1-CG 4.45Å; Y8-Q36 HydrophobicContact CD2-CB 3.86Å; Y8-Q36 HydrophobicContact CD2-CG 4.28Å; Y8-Q36 HydrophobicContact CE1-CB 3.86Å; Y8-Q36 HydrophobicContact CE2-CB 3.77Å; Y8-Q36 HydrophobicContact CG-CB 3.95Å; Y8-Q36 HydrophobicContact CG-CG 4.16Å; Y8-V49 HydrophobicContact CD1-CG1 4.25Å; Y8-N50 WeakPolarHBondContact CA-O 3.31Å; Y8-A51 HydrophobicContact CD1-CB 4.35Å; Y8-A51 HydrophobicContact CE1-CB 4.22Å; Y8-M629 HydrophobicContact CE1-SD 4.13Å; Y8-A643 HydrophobicContact CD1-CB 4.17Å; Y8-A643 HydrophobicContact CE1-CB 3.66Å; Y8-A643 WeakPolarHBondContact CE1-O 3.47Å; Y8-A643 PolarHBondContact OH-O 3.25Å; Y8-T645 WeakPolarHBondContact OH-CB 3.32Å; Y8-T645 PolarHBondContact OH-N 3.12Å; Y8-T645 PolarHBondContact OH-OG1 3.03Å |
| 9 | E | 92.6 | Very high | 82.9 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.1 | 170.8 | -179.9 | 171.2 | -104 | 0 | 0 | 108.8 | R11 N50 | E9-R11 HydrophobicContact CG-CG 4.22Å; E9-R11 IonicContact OE2-CZ 2.7Å; E9-R11 VanDerWaalsContact OE2-CZ 3.24Å; E9-R11 IonicContact OE2-NE 2.99Å; E9-R11 PolarHBondContact OE2-NE 3Å; E9-R11 IonicContact OE2-NH2 2.75Å; E9-R11 PolarHBondContact OE2-NH2 3.24Å; E9-N50 HydrophobicContact CB-CB 4.41Å; E9-N50 PolarHBondContact N-O 2.99Å; E9-N50 PolarHBondContact O-N 3.3Å |
| 10 | V | 92.1 | Very high | 83 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.2 | 168.2 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | A13 Y15 F38 L40 P47 A48 V49 | V10-A13 HydrophobicContact CG1-CB 4.46Å; V10-Y15 HydrophobicContact CB-CD1 3.68Å; V10-Y15 HydrophobicContact CB-CD2 3.96Å; V10-Y15 HydrophobicContact CB-CE1 3.71Å; V10-Y15 HydrophobicContact CB-CE2 4Å; V10-Y15 HydrophobicContact CB-CG 3.77Å; V10-Y15 HydrophobicContact CG1-CD1 4.44Å; V10-Y15 HydrophobicContact CG1-CG 4.45Å; V10-Y15 HydrophobicContact CG2-CD1 4.38Å; V10-Y15 HydrophobicContact CG2-CD2 3.73Å; V10-Y15 HydrophobicContact CG2-CE1 4.4Å; V10-Y15 HydrophobicContact CG2-CE2 3.75Å; V10-Y15 HydrophobicContact CG2-CG 4.03Å; V10-Y15 PolarHBondContact N-OH 2.93Å; V10-Y15 VanDerWaalsContact O-CE1 3.27Å; V10-Y15 WeakPolarHBondContact O-CE1 3.46Å; V10-F38 HydrophobicContact CG2-CD2 4.1Å; V10-F38 HydrophobicContact CG2-CE2 4.18Å; V10-L40 HydrophobicContact CG1-CD2 3.95Å; V10-P47 HydrophobicContact CG1-CB 4.29Å; V10-A48 CarbonylContact C-O 3.59Å; V10-A48 WeakPolarHBondContact CA-O 3.29Å; V10-V49 HydrophobicContact CG2-CG1 4.46Å; V10-V49 HydrophobicContact CG2-CG2 4.36Å |
| 11 | R | 89.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 156.1 | -173.6 | -64 | 177.6 | 171 | -177.1 | -11.3 | 111 | E9 A13 P47 A48 E59 | E9-R11 HydrophobicContact CG-CG 4.22Å; E9-R11 IonicContact OE2-CZ 2.7Å; E9-R11 VanDerWaalsContact OE2-CZ 3.24Å; E9-R11 IonicContact OE2-NE 2.99Å; E9-R11 PolarHBondContact OE2-NE 3Å; E9-R11 IonicContact OE2-NH2 2.75Å; E9-R11 PolarHBondContact OE2-NH2 3.24Å; R11-A13 PolarHBondContact O-N 3.46Å; R11-P47 WeakPolarHBondContact O-CA 3.36Å; R11-A48 HydrophobicContact CB-CB 4.35Å; R11-A48 PolarHBondContact N-O 3.43Å; R11-A48 PolarHBondContact O-N 2.98Å; R11-E59 IonicContact CZ-OE1 3.91Å; R11-E59 IonicContact NE-OE1 3.28Å; R11-E59 IonicContact NH1-OE1 2.95Å; R11-E59 PolarHBondContact NH1-OE1 3.12Å |
| 12 | D | 85.6 | Confident | 83.7 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | 15.6 | 179.8 | -58.4 | -80.7 | 0 | 0 | 0 | 115.6 | A43 S44 R45 | D12-A43 WeakPolarHBondContact O-CA 3.42Å; D12-S44 PolarHBondContact O-N 3.14Å; D12-S44 VanDerWaalsContact O-N 3.14Å; D12-R45 HydrophobicContact CB-CB 4.12Å |
| 13 | A | 87.3 | Confident | 84 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 146.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V10 R11 L40 R42 A43 P47 | V10-A13 HydrophobicContact CG1-CB 4.46Å; R11-A13 PolarHBondContact O-N 3.46Å; A13-L40 HydrophobicContact CB-CD2 3.64Å; A13-R42 CarbonylContact C-O 3.54Å; A13-R42 VanDerWaalsContact CA-O 3.25Å; A13-R42 WeakPolarHBondContact CA-O 3.4Å; A13-R42 WeakPolarHBondContact CB-O 3.39Å; A13-A43 HydrophobicContact CB-CB 3.72Å; A13-P47 HydrophobicContact CB-CB 4.02Å; A13-P47 HydrophobicContact CB-CG 3.99Å |
| 14 | D | 87.8 | Confident | 83.5 | Confident | 103 Ų | 103 | 44.4 Ų | 44.4 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.9 | 159.9 | -65.5 | -52.2 | 0 | 0 | 0 | 108.9 | L41 R42 | D14-L41 HydrophobicContact CB-CB 4.21Å; D14-L41 PolarHBondContact O-N 2.9Å; D14-R42 HydrophobicContact CB-CB 4.4Å; D14-R42 PolarHBondContact N-O 3.25Å; D14-R42 PolarHBondContact O-N 2.9Å |
| 15 | Y | 91.9 | Very high | 82.6 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.9 | -172.5 | 75.4 | -81.7 | 0 | 0 | 0 | 113 | V10 F17 V39 R559 | V10-Y15 HydrophobicContact CB-CD1 3.68Å; V10-Y15 HydrophobicContact CB-CD2 3.96Å; V10-Y15 HydrophobicContact CB-CE1 3.71Å; V10-Y15 HydrophobicContact CB-CE2 4Å; V10-Y15 HydrophobicContact CB-CG 3.77Å; V10-Y15 HydrophobicContact CG1-CD1 4.44Å; V10-Y15 HydrophobicContact CG1-CG 4.45Å; V10-Y15 HydrophobicContact CG2-CD1 4.38Å; V10-Y15 HydrophobicContact CG2-CD2 3.73Å; V10-Y15 HydrophobicContact CG2-CE1 4.4Å; V10-Y15 HydrophobicContact CG2-CE2 3.75Å; V10-Y15 HydrophobicContact CG2-CG 4.03Å; V10-Y15 PolarHBondContact N-OH 2.93Å; V10-Y15 VanDerWaalsContact O-CE1 3.27Å; V10-Y15 WeakPolarHBondContact O-CE1 3.46Å; Y15-F17 HydrophobicContact CD2-CE1 4.41Å; Y15-F17 HydrophobicContact CE2-CD1 4.28Å; Y15-F17 HydrophobicContact CE2-CD2 4.16Å; Y15-F17 AromaticContact CE2-CE1 3.86Å; Y15-F17 HydrophobicContact CE2-CE1 3.86Å; Y15-F17 AromaticContact CE2-CE2 3.74Å; Y15-F17 HydrophobicContact CE2-CE2 3.74Å; Y15-F17 HydrophobicContact CE2-CG 4.41Å; Y15-F17 AromaticContact CE2-CZ 3.57Å; Y15-F17 HydrophobicContact CE2-CZ 3.57Å; Y15-V39 VanDerWaalsContact CA-O 3.3Å; Y15-V39 WeakPolarHBondContact CA-O 3.27Å; Y15-V39 WeakPolarHBondContact CB-O 3.02Å; Y15-R559 PolarHBondContact OH-NH1 2.72Å; Y15-R559 PolarHBondContact OH-NH2 3Å |
| 16 | L | 93.1 | Very high | 81.6 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135 | 173.6 | -68.4 | 170.5 | 0 | 0 | 0 | 109.9 | F38 V39 L41 L392 V555 L560 | L16-F38 CarbonylContact O-C 3.56Å; L16-F38 VanDerWaalsContact O-CA 3.27Å; L16-F38 WeakPolarHBondContact O-CA 3.42Å; L16-F38 WeakPolarHBondContact O-CB 3.42Å; L16-V39 HydrophobicContact CB-CG1 3.87Å; L16-V39 PolarHBondContact N-O 2.88Å; L16-V39 PolarHBondContact O-N 2.95Å; L16-L41 HydrophobicContact CD1-CD1 3.92Å; L16-L41 HydrophobicContact CD1-CD2 4.29Å; L16-L41 HydrophobicContact CD1-CG 4.45Å; L16-L41 HydrophobicContact CG-CD1 4.04Å; L16-L392 HydrophobicContact CD1-CD2 3.64Å; L16-V555 HydrophobicContact CB-CG1 4.03Å; L16-V555 HydrophobicContact CD1-CG1 3.94Å; L16-V555 HydrophobicContact CD2-CG1 4.01Å; L16-V555 HydrophobicContact CG-CG1 4.22Å; L16-L560 HydrophobicContact CD2-CD1 4.41Å |
| 17 | F | 93.5 | Very high | 80.2 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 150.9 | 168.1 | -74.7 | -49.4 | 0 | 0 | 0 | 110 | Y8 Y15 Q36 F38 D556 | Y8-F17 WeakPolarHBondContact O-CZ 3.12Å; Y15-F17 HydrophobicContact CD2-CE1 4.41Å; Y15-F17 HydrophobicContact CE2-CD1 4.28Å; Y15-F17 HydrophobicContact CE2-CD2 4.16Å; Y15-F17 AromaticContact CE2-CE1 3.86Å; Y15-F17 HydrophobicContact CE2-CE1 3.86Å; Y15-F17 AromaticContact CE2-CE2 3.74Å; Y15-F17 HydrophobicContact CE2-CE2 3.74Å; Y15-F17 HydrophobicContact CE2-CG 4.41Å; Y15-F17 AromaticContact CE2-CZ 3.57Å; Y15-F17 HydrophobicContact CE2-CZ 3.57Å; F17-Q36 HydrophobicContact CD1-CG 3.45Å; F17-Q36 VanDerWaalsContact CD1-CG 3.45Å; F17-Q36 HydrophobicContact CE1-CG 3.51Å; F17-Q36 HydrophobicContact CG-CG 4.33Å; F17-Q36 HydrophobicContact CZ-CG 4.39Å; F17-F38 HydrophobicContact CD1-CB 3.91Å; F17-F38 HydrophobicContact CE1-CB 4.36Å; F17-D556 HydrophobicContact CB-CB 4Å; F17-D556 PolarHBondContact O-N 3.48Å |
| 18 | L | 92.3 | Very high | 78.6 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 170.6 | -175.5 | -56.1 | 175.8 | 0 | 0 | 0 | 111.7 | Q36 P37 V39 L549 W553 Q554 V555 A640 | L18-Q36 PolarHBondContact O-NE2 2.88Å; L18-P37 HydrophobicContact CB-CB 4.04Å; L18-P37 HydrophobicContact CB-CG 4.03Å; L18-P37 PolarHBondContact N-O 2.9Å; L18-V39 HydrophobicContact CD1-CB 4.31Å; L18-V39 HydrophobicContact CD2-CG1 4.15Å; L18-L549 HydrophobicContact CD1-CD1 3.79Å; L18-L549 HydrophobicContact CD2-CD1 3.44Å; L18-L549 VanDerWaalsContact CD2-CD1 3.44Å; L18-L549 HydrophobicContact CG-CD1 4.27Å; L18-W553 HydrophobicContact CB-CE3 4.04Å; L18-W553 HydrophobicContact CB-CZ3 4.45Å; L18-W553 HydrophobicContact CD1-CE3 4.1Å; L18-Q554 CarbonylContact C-O 3.58Å; L18-Q554 VanDerWaalsContact CA-O 3.24Å; L18-Q554 WeakPolarHBondContact CA-O 3.47Å; L18-V555 HydrophobicContact CD2-CG2 3.92Å; L18-A640 HydrophobicContact CD1-CB 3.83Å |
| 19 | K | 88.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 10% | 0.1 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.1 | 163.1 | -173 | -171.3 | 175.8 | -172.8 | 0 | 107.9 | Q23 E483 L531 Q554 | K19-Q23 WeakPolarHBondContact CE-O 3.48Å; K19-Q23 PolarHBondContact NZ-O 2.9Å; K19-Q23 VanDerWaalsContact NZ-O 3.14Å; K19-E483 IonicContact NZ-OE1 2.67Å; K19-E483 PolarHBondContact NZ-OE1 2.88Å; K19-E483 IonicContact NZ-OE2 2.75Å; K19-E483 PolarHBondContact NZ-OE2 3.42Å; K19-L531 HydrophobicContact CB-CD2 4.5Å; K19-L531 HydrophobicContact CD-CD1 3.62Å; K19-Q554 HydrophobicContact CB-CB 4.4Å; K19-Q554 PolarHBondContact N-O 2.95Å; K19-Q554 PolarHBondContact O-N 2.89Å |
| 20 | E | 85.3 | Confident | 76.2 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.7 | 174.6 | -157.1 | -179 | 125.3 | 0 | 0 | 109.3 | Q23 D552 W553 | E20-Q23 HydrophobicContact CB-CG 4.13Å; E20-Q23 PolarHBondContact O-N 3.3Å; E20-Q23 PolarHBondContact OE1-NE2 2.93Å; E20-Q23 PolarHBondContact OE2-NE2 3.32Å; E20-D552 CarbonylContact C-O 3.59Å; E20-D552 VanDerWaalsContact CA-O 3.29Å; E20-D552 WeakPolarHBondContact CA-O 3.22Å; E20-W553 HydrophobicContact CB-CE3 4.41Å; E20-W553 HydrophobicContact CB-CH2 4.05Å; E20-W553 HydrophobicContact CB-CZ3 3.94Å; E20-W553 HydrophobicContact CG-CH2 3.91Å; E20-W553 HydrophobicContact CG-CZ2 4.04Å; E20-W553 HydrophobicContact CG-CZ3 4.23Å |
| 21 | A | 72.8 | Confident | 75 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 145.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q23 D552 | A21-Q23 PolarHBondContact O-N 3.06Å; A21-D552 PolarHBondContact N-O 2.99Å |
| 22 | G | 64.9 | Low | 74.5 | Confident | 83 Ų | 83 | 57 Ų | 57 | 86% | 0.856 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 1.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 23 | Q | 63.7 | Low | 74.4 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | trans | -85.1 | 129.3 | 162.2 | -64.6 | -172.9 | 8.4 | 0 | 0 | 110.1 | K19 E20 A21 R27 N28 | K19-Q23 WeakPolarHBondContact CE-O 3.48Å; K19-Q23 PolarHBondContact NZ-O 2.9Å; K19-Q23 VanDerWaalsContact NZ-O 3.14Å; E20-Q23 HydrophobicContact CB-CG 4.13Å; E20-Q23 PolarHBondContact O-N 3.3Å; E20-Q23 PolarHBondContact OE1-NE2 2.93Å; E20-Q23 PolarHBondContact OE2-NE2 3.32Å; A21-Q23 PolarHBondContact O-N 3.06Å; Q23-R27 HydrophobicContact CB-CB 4.41Å; Q23-N28 PolarHBondContact NE2-ND2 3.36Å; Q23-N28 PolarHBondContact OE1-ND2 2.65Å | ||
| 24 | D | 58.1 | Low | 74.4 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | trans | -56.3 | 159.4 | 161.7 | -52.9 | -62.2 | 0 | 0 | 0 | 110.1 | M26 R27 | D24-M26 PolarHBondContact O-N 3.46Å; D24-R27 PolarHBondContact O-N 3.01Å | ||
| 25 | F | 54.7 | Low | 74.4 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -36.5 | -27.4 | -179 | -166.8 | -115.5 | 0 | 0 | 0 | 116.2 | F3 E483 L527 R529 | F3-F25 HydrophobicContact CE1-CE1 4.33Å; F25-E483 HydrophobicContact CD2-CG 4.17Å; F25-L527 HydrophobicContact CE1-CD1 4.31Å; F25-L527 HydrophobicContact CZ-CB 4.01Å; F25-L527 HydrophobicContact CZ-CD1 4.01Å; F25-R529 HydrophobicContact CE2-CG 4.11Å |
| 26 | M | 55.9 | Low | 74.4 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -0.8 | -165 | -61.5 | -50.4 | -40.2 | 0 | 0 | 119.2 | P1 F3 D24 N28 S29 | P1-M26 HydrophobicContact CB-CB 3.92Å; P1-M26 HydrophobicContact CB-CG 4.21Å; P1-M26 HydrophobicContact CG-CB 4.1Å; P1-M26 HydrophobicContact CG-CG 4.36Å; P1-M26 WeakPolarHBondContact O-CG 3.22Å; F3-M26 HydrophobicContact CB-CE 3.41Å; F3-M26 VanDerWaalsContact CB-CE 3.41Å; F3-M26 HydrophobicContact CD1-CE 3.12Å; F3-M26 HydrophobicContact CD1-SD 3.5Å; F3-M26 VanDerWaalsContact CD1-SD 3.5Å; F3-M26 HydrophobicContact CD2-CE 4.47Å; F3-M26 HydrophobicContact CE1-CE 3.96Å; F3-M26 HydrophobicContact CE1-SD 3.74Å; F3-M26 HydrophobicContact CG-CE 3.44Å; F3-M26 VanDerWaalsContact CG-CE 3.44Å; F3-M26 HydrophobicContact CG-SD 4.34Å; D24-M26 PolarHBondContact O-N 3.46Å; M26-N28 VanDerWaalsContact C-N 3.29Å; M26-N28 PolarHBondContact O-N 2.65Å; M26-N28 VanDerWaalsContact O-N 3.08Å; M26-S29 PolarHBondContact O-N 3.25Å; M26-S29 VanDerWaalsContact O-N 3.16Å |
| 27 | R | 55.1 | Low | 74.3 | Confident | 191 Ų | 191 | 51 Ų | 51 | 72% | 0.721 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.6 | -161.5 | -167 | 169.7 | 179.8 | 177.2 | -1.6 | 115.8 | Q23 D24 | Q23-R27 HydrophobicContact CB-CB 4.41Å; D24-R27 PolarHBondContact O-N 3.01Å |
| 28 | N | 56.2 | Low | 74.3 | Confident | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 17 | -178.1 | -76.5 | -6 | 0 | 0 | 0 | 114.7 | Q23 M26 T35 | Q23-N28 PolarHBondContact NE2-ND2 3.36Å; Q23-N28 PolarHBondContact OE1-ND2 2.65Å; M26-N28 VanDerWaalsContact C-N 3.29Å; M26-N28 PolarHBondContact O-N 2.65Å; M26-N28 VanDerWaalsContact O-N 3.08Å; N28-T35 PolarHBondContact O-OG1 2.86Å |
| 29 | S | 61.2 | Low | 74.3 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | trans | -130.7 | 147.1 | 178.5 | -69.8 | 0 | 0 | 0 | 0 | 112 | M26 S33 H34 T35 | M26-S29 PolarHBondContact O-N 3.25Å; M26-S29 VanDerWaalsContact O-N 3.16Å; S29-S33 CarbonylContact C-O 3.56Å; S29-S33 WeakPolarHBondContact CA-O 3.5Å; S29-H34 PolarHBondContact OG-CD2 2.83Å; S29-T35 PolarHBondContact OG-N 2.82Å | ||
| 30 | S | 71.4 | Confident | 74.3 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -129.8 | 174 | 178.9 | 85.3 | 0 | 0 | 0 | 0 | 110.7 | V2 F3 L4 Q32 S33 | V2-S30 CarbonylContact O-C 3.6Å; F3-S30 WeakPolarHBondContact CA-O 3.44Å; L4-S30 PolarHBondContact N-O 3.12Å; S30-Q32 PolarHBondContact O-N 3.19Å; S30-Q32 PolarHBondContact OG-N 3.37Å; S30-Q32 VanDerWaalsContact OG-N 3.12Å; S30-S33 PolarHBondContact N-O 3.22Å; S30-S33 PolarHBondContact O-N 3.39Å; S30-S33 PolarHBondContact OG-N 2.87Å; S30-S33 PolarHBondContact OG-OG 3.47Å |
| 31 | M | 67.8 | Low | 74.3 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 29% | 0.286 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -39.2 | 171 | -56.5 | -98.5 | 44.6 | 0 | 0 | 111.9 | V2 Q622 W663 | V2-M31 HydrophobicContact CB-CE 3.55Å; V2-M31 HydrophobicContact CB-SD 4.25Å; V2-M31 HydrophobicContact CG1-CE 3.42Å; V2-M31 VanDerWaalsContact CG1-CE 3.42Å; V2-M31 PolarHBondContact O-N 3.18Å; M31-Q622 PolarHBondContact O-NE2 2.85Å; M31-Q622 PolarHBondContact O-OE1 3.44Å; M31-Q622 VanDerWaalsContact O-OE1 3.1Å; M31-W663 HydrophobicContact CE-CD2 3.75Å; M31-W663 HydrophobicContact CE-CE3 3.67Å; M31-W663 HydrophobicContact CE-CH2 3.44Å; M31-W663 VanDerWaalsContact CE-CH2 3.44Å; M31-W663 HydrophobicContact CE-CZ2 3.49Å; M31-W663 VanDerWaalsContact CE-CZ2 3.49Å; M31-W663 HydrophobicContact CE-CZ3 3.52Å; M31-W663 HydrophobicContact SD-CD2 4.48Å; M31-W663 HydrophobicContact SD-CH2 3.67Å; M31-W663 HydrophobicContact SD-CZ2 3.3Å; M31-W663 WeakPolarHBondContact SD-CZ2 3.41Å; M31-W663 HydrophobicContact SD-CZ3 4.37Å |
| 32 | Q | 76.8 | Confident | 74.6 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -9 | -173.1 | -53 | -172.4 | -46.4 | 0 | 0 | 113.5 | S30 T646 T647 E649 | S30-Q32 PolarHBondContact O-N 3.19Å; S30-Q32 PolarHBondContact OG-N 3.37Å; S30-Q32 VanDerWaalsContact OG-N 3.12Å; Q32-T646 CarbonylContact O-C 3.57Å; Q32-T646 WeakPolarHBondContact O-CA 3.4Å; Q32-T647 WeakPolarHBondContact CA-OG1 3.49Å; Q32-T647 PolarHBondContact O-N 3.08Å; Q32-T647 PolarHBondContact O-OG1 3.1Å; Q32-E649 WeakPolarHBondContact CG-OE1 3.48Å; Q32-E649 PolarHBondContact NE2-OE1 3.3Å; Q32-E649 VanDerWaalsContact NE2-OE1 3.13Å; Q32-E649 PolarHBondContact NE2-OE2 3.42Å |
| 33 | S | 84.4 | Confident | 75.2 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 117.2 | -169.2 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | S29 S30 T645 | S29-S33 CarbonylContact C-O 3.56Å; S29-S33 WeakPolarHBondContact CA-O 3.5Å; S30-S33 PolarHBondContact N-O 3.22Å; S30-S33 PolarHBondContact O-N 3.39Å; S30-S33 PolarHBondContact OG-N 2.87Å; S30-S33 PolarHBondContact OG-OG 3.47Å; S33-T645 CarbonylContact C-O 3.47Å; S33-T645 WeakPolarHBondContact CA-O 3.33Å |
| 34 | H | 87.3 | Confident | 75.5 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.4 | 166.8 | -171.3 | -92.2 | 0 | 0 | 0 | 110.4 | F3 V6 Y8 S29 T644 T645 | F3-H34 AromaticContact CD2-CD2 3.34Å; F3-H34 WeakPolarHBondContact CD2-CD2 3.35Å; F3-H34 AromaticContact CD2-NE2 3.85Å; F3-H34 AromaticContact CG-CD2 3.96Å; V6-H34 HydrophobicContact CG2-CB 4.43Å; Y8-H34 AromaticContact CE2-ND1 3.28Å; Y8-H34 VanDerWaalsContact CE2-ND1 3.28Å; Y8-H34 WeakPolarHBondContact CE2-ND1 3.44Å; Y8-H34 AromaticContact CZ-ND1 3.79Å; Y8-H34 PolarHBondContact OH-O 3.02Å; S29-H34 PolarHBondContact OG-CD2 2.83Å; H34-T644 CarbonylContact O-C 3.46Å; H34-T644 WeakPolarHBondContact O-CA 3.4Å; H34-T645 PolarHBondContact N-O 2.88Å; H34-T645 PolarHBondContact O-N 2.87Å |
| 35 | T | 88.4 | Confident | 76.3 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.172 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.5 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | N28 S29 P37 L642 T644 | N28-T35 PolarHBondContact O-OG1 2.86Å; S29-T35 PolarHBondContact OG-N 2.82Å; T35-P37 WeakPolarHBondContact O-CD 3.3Å; T35-L642 HydrophobicContact CG2-CB 4.22Å; T35-T644 WeakPolarHBondContact CG2-OG1 3.31Å; T35-T644 PolarHBondContact OG1-OG1 2.81Å |
| 36 | Q | 90.8 | Very high | 77.5 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.1 | 174.4 | -176.9 | 54.6 | 66.3 | 0 | 0 | 110.2 | Y8 F17 L18 A643 | Y8-Q36 HydrophobicContact CD1-CB 3.97Å; Y8-Q36 HydrophobicContact CD1-CG 4.45Å; Y8-Q36 HydrophobicContact CD2-CB 3.86Å; Y8-Q36 HydrophobicContact CD2-CG 4.28Å; Y8-Q36 HydrophobicContact CE1-CB 3.86Å; Y8-Q36 HydrophobicContact CE2-CB 3.77Å; Y8-Q36 HydrophobicContact CG-CB 3.95Å; Y8-Q36 HydrophobicContact CG-CG 4.16Å; F17-Q36 HydrophobicContact CD1-CG 3.45Å; F17-Q36 VanDerWaalsContact CD1-CG 3.45Å; F17-Q36 HydrophobicContact CE1-CG 3.51Å; F17-Q36 HydrophobicContact CG-CG 4.33Å; F17-Q36 HydrophobicContact CZ-CG 4.39Å; L18-Q36 PolarHBondContact O-NE2 2.88Å; Q36-A643 PolarHBondContact N-O 3.32Å; Q36-A643 PolarHBondContact O-N 2.64Å |
| 37 | P | 91.8 | Very high | 79.1 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 143.6 | 170.1 | 30.5 | -34.5 | 0 | 0 | 0 | 111.2 | L18 T35 W553 I641 L642 | L18-P37 HydrophobicContact CB-CB 4.04Å; L18-P37 HydrophobicContact CB-CG 4.03Å; L18-P37 PolarHBondContact N-O 2.9Å; T35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-W553 HydrophobicContact CB-CH2 4.47Å; P37-W553 HydrophobicContact CB-CZ3 3.82Å; P37-W553 HydrophobicContact CG-CZ3 4.07Å; P37-I641 CarbonylContact C-O 3.59Å; P37-I641 WeakPolarHBondContact CA-O 3.47Å; P37-L642 HydrophobicContact CB-CD2 3.71Å |
| 38 | F | 93.1 | Very high | 80.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.8 | 177.4 | 71.7 | -77.3 | 0 | 0 | 0 | 111.8 | V10 L16 F17 L40 V49 V62 L631 I641 A643 | V10-F38 HydrophobicContact CG2-CD2 4.1Å; V10-F38 HydrophobicContact CG2-CE2 4.18Å; L16-F38 CarbonylContact O-C 3.56Å; L16-F38 VanDerWaalsContact O-CA 3.27Å; L16-F38 WeakPolarHBondContact O-CA 3.42Å; L16-F38 WeakPolarHBondContact O-CB 3.42Å; F17-F38 HydrophobicContact CD1-CB 3.91Å; F17-F38 HydrophobicContact CE1-CB 4.36Å; F38-L40 HydrophobicContact CD2-CD2 4.43Å; F38-L40 HydrophobicContact CD2-CG 4.37Å; F38-L40 HydrophobicContact CE2-CD1 4.4Å; F38-L40 HydrophobicContact CE2-CD2 4Å; F38-L40 HydrophobicContact CE2-CG 3.92Å; F38-V49 HydrophobicContact CE1-CG2 4.12Å; F38-V49 HydrophobicContact CE2-CG2 4.26Å; F38-V49 HydrophobicContact CZ-CG2 3.58Å; F38-V62 HydrophobicContact CZ-CG2 4.44Å; F38-L631 HydrophobicContact CE1-CD2 4.43Å; F38-I641 HydrophobicContact CD1-CB 4.16Å; F38-I641 HydrophobicContact CD1-CG2 4.4Å; F38-I641 VanDerWaalsContact CD1-O 3.25Å; F38-I641 WeakPolarHBondContact CD1-O 3.14Å; F38-I641 HydrophobicContact CE1-CB 3.65Å; F38-I641 HydrophobicContact CE1-CG2 3.5Å; F38-I641 VanDerWaalsContact CE1-CG2 3.5Å; F38-I641 HydrophobicContact CE2-CB 4.29Å; F38-I641 HydrophobicContact CE2-CD1 4.35Å; F38-I641 HydrophobicContact CZ-CB 3.73Å; F38-I641 HydrophobicContact CZ-CD1 4.2Å; F38-I641 HydrophobicContact CZ-CG2 3.62Å; F38-I641 PolarHBondContact N-O 2.92Å; F38-I641 PolarHBondContact O-N 3.46Å; F38-A643 HydrophobicContact CD1-CB 4.29Å; F38-A643 HydrophobicContact CE1-CB 3.96Å |
| 39 | V | 91.4 | Very high | 82.6 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.1 | 169.4 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | Y15 L16 L18 L41 F548 L549 R639 | Y15-V39 VanDerWaalsContact CA-O 3.3Å; Y15-V39 WeakPolarHBondContact CA-O 3.27Å; Y15-V39 WeakPolarHBondContact CB-O 3.02Å; L16-V39 HydrophobicContact CB-CG1 3.87Å; L16-V39 PolarHBondContact N-O 2.88Å; L16-V39 PolarHBondContact O-N 2.95Å; L18-V39 HydrophobicContact CD1-CB 4.31Å; L18-V39 HydrophobicContact CD2-CG1 4.15Å; V39-L41 HydrophobicContact CG1-CD2 4.43Å; V39-F548 HydrophobicContact CG1-CE1 4.45Å; V39-L549 HydrophobicContact CB-CD1 4.47Å; V39-L549 HydrophobicContact CG1-CD1 4.2Å; V39-L549 HydrophobicContact CG2-CD2 4.3Å; V39-R639 HydrophobicContact CG2-CB 4.44Å |
| 40 | L | 89.1 | Confident | 84.2 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.3 | 171.1 | -65.5 | 165.7 | 0 | 0 | 0 | 108.7 | V10 A13 F38 P47 V62 V67 I641 | V10-L40 HydrophobicContact CG1-CD2 3.95Å; A13-L40 HydrophobicContact CB-CD2 3.64Å; F38-L40 HydrophobicContact CD2-CD2 4.43Å; F38-L40 HydrophobicContact CD2-CG 4.37Å; F38-L40 HydrophobicContact CE2-CD1 4.4Å; F38-L40 HydrophobicContact CE2-CD2 4Å; F38-L40 HydrophobicContact CE2-CG 3.92Å; L40-P47 HydrophobicContact CD1-CG 4.06Å; L40-P47 HydrophobicContact CD2-CB 4.14Å; L40-P47 HydrophobicContact CD2-CG 4.11Å; L40-V62 HydrophobicContact CD1-CG1 4.23Å; L40-V62 HydrophobicContact CD1-CG2 4.48Å; L40-V67 HydrophobicContact CD1-CG2 3.59Å; L40-I641 HydrophobicContact CD1-CD1 3.95Å |
| 41 | L | 85.1 | Confident | 85.2 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -52.2 | 177.2 | -59.2 | -178.9 | 0 | 0 | 0 | 110.8 | D14 L16 V39 N82 L392 F548 | D14-L41 HydrophobicContact CB-CB 4.21Å; D14-L41 PolarHBondContact O-N 2.9Å; L16-L41 HydrophobicContact CD1-CD1 3.92Å; L16-L41 HydrophobicContact CD1-CD2 4.29Å; L16-L41 HydrophobicContact CD1-CG 4.45Å; L16-L41 HydrophobicContact CG-CD1 4.04Å; V39-L41 HydrophobicContact CG1-CD2 4.43Å; L41-N82 PolarHBondContact O-ND2 2.9Å; L41-L392 HydrophobicContact CD1-CD2 4.48Å; L41-L392 HydrophobicContact CD2-CD2 4.21Å; L41-F548 HydrophobicContact CD2-CE1 4.16Å; L41-F548 HydrophobicContact CD2-CZ 3.87Å |
| 42 | R | 79.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 38.2 Ų | 38.2 | 39% | 0.389 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 147.3 | 179.7 | -170.3 | 175.6 | -179.3 | -171.2 | -3.5 | 109.4 | A13 D14 T80 | A13-R42 CarbonylContact C-O 3.54Å; A13-R42 VanDerWaalsContact CA-O 3.25Å; A13-R42 WeakPolarHBondContact CA-O 3.4Å; A13-R42 WeakPolarHBondContact CB-O 3.39Å; D14-R42 HydrophobicContact CB-CB 4.4Å; D14-R42 PolarHBondContact N-O 3.25Å; D14-R42 PolarHBondContact O-N 2.9Å; R42-T80 HydrophobicContact CG-CG2 4.45Å |
| 43 | A | 77.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 124.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | D12 A13 P47 T80 F81 | D12-A43 WeakPolarHBondContact O-CA 3.42Å; A13-A43 HydrophobicContact CB-CB 3.72Å; A43-P47 HydrophobicContact CB-CG 3.71Å; A43-T80 CarbonylContact O-C 3.43Å; A43-T80 WeakPolarHBondContact O-CA 3.25Å; A43-T80 WeakPolarHBondContact O-CB 3.31Å; A43-F81 HydrophobicContact CB-CB 3.84Å; A43-F81 PolarHBondContact O-N 2.86Å |
| 44 | S | 70.3 | Confident | 86.8 | Confident | 80 Ų | 80 | 36 Ų | 36 | 56% | 0.559 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -16 | -176.6 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | D12 | D12-S44 PolarHBondContact O-N 3.14Å; D12-S44 VanDerWaalsContact O-N 3.14Å |
| 45 | R | 74.3 | Confident | 86.6 | Confident | 177 Ų | 177 | 40.3 Ų | 40.3 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | -179 | 175.8 | -58.4 | -178.9 | 175.2 | -134.7 | -4.8 | 108.7 | D12 P47 | D12-R45 HydrophobicContact CB-CB 4.12Å; R45-P47 VanDerWaalsContact O-CD 3.26Å; R45-P47 WeakPolarHBondContact O-CD 3.34Å |
| 46 | Q | 81.1 | Confident | 86.5 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 119.2 | 169.5 | 179.4 | 165 | 26.7 | 0 | 0 | 110.3 | L61 V62 F81 | Q46-L61 HydrophobicContact CG-CB 4.32Å; Q46-L61 HydrophobicContact CG-CD2 4.43Å; Q46-V62 PolarHBondContact NE2-O 2.78Å; Q46-F81 HydrophobicContact CB-CD2 3.99Å; Q46-F81 HydrophobicContact CB-CE2 3.63Å; Q46-F81 HydrophobicContact CB-CZ 4.23Å; Q46-F81 HydrophobicContact CG-CD2 4.37Å; Q46-F81 HydrophobicContact CG-CE2 3.6Å; Q46-F81 HydrophobicContact CG-CZ 3.7Å |
| 47 | P | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 143.3 | -178 | -18.4 | 31.3 | 0 | 0 | 0 | 111.8 | V10 R11 A13 L40 A43 R45 V62 F81 | V10-P47 HydrophobicContact CG1-CB 4.29Å; R11-P47 WeakPolarHBondContact O-CA 3.36Å; A13-P47 HydrophobicContact CB-CB 4.02Å; A13-P47 HydrophobicContact CB-CG 3.99Å; L40-P47 HydrophobicContact CD1-CG 4.06Å; L40-P47 HydrophobicContact CD2-CB 4.14Å; L40-P47 HydrophobicContact CD2-CG 4.11Å; A43-P47 HydrophobicContact CB-CG 3.71Å; R45-P47 VanDerWaalsContact O-CD 3.26Å; R45-P47 WeakPolarHBondContact O-CD 3.34Å; P47-V62 HydrophobicContact CB-CB 4.42Å; P47-V62 HydrophobicContact CB-CG2 3.96Å; P47-V62 PolarHBondContact O-N 3.26Å; P47-F81 HydrophobicContact CG-CD1 4.06Å |
| 48 | A | 91.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | V10 R11 E59 L61 | V10-A48 CarbonylContact C-O 3.59Å; V10-A48 WeakPolarHBondContact CA-O 3.29Å; R11-A48 HydrophobicContact CB-CB 4.35Å; R11-A48 PolarHBondContact N-O 3.43Å; R11-A48 PolarHBondContact O-N 2.98Å; A48-E59 HydrophobicContact CB-CG 3.9Å; A48-L61 HydrophobicContact CB-CD2 4.04Å |
| 49 | V | 94.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.6 | 165 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | Y8 V10 F38 E59 R60 V62 M629 L631 A643 | Y8-V49 HydrophobicContact CD1-CG1 4.25Å; V10-V49 HydrophobicContact CG2-CG1 4.46Å; V10-V49 HydrophobicContact CG2-CG2 4.36Å; F38-V49 HydrophobicContact CE1-CG2 4.12Å; F38-V49 HydrophobicContact CE2-CG2 4.26Å; F38-V49 HydrophobicContact CZ-CG2 3.58Å; V49-E59 CarbonylContact O-C 3.55Å; V49-E59 WeakPolarHBondContact O-CA 3.48Å; V49-R60 PolarHBondContact N-O 2.85Å; V49-R60 PolarHBondContact O-N 3.4Å; V49-V62 HydrophobicContact CG2-CG2 3.79Å; V49-M629 HydrophobicContact CB-CE 3.89Å; V49-M629 HydrophobicContact CB-SD 4.16Å; V49-M629 HydrophobicContact CG1-CE 3.82Å; V49-M629 HydrophobicContact CG1-SD 3.64Å; V49-M629 WeakPolarHBondContact O-CE 3.14Å; V49-L631 HydrophobicContact CB-CD2 4.29Å; V49-L631 HydrophobicContact CG2-CD1 4.09Å; V49-L631 HydrophobicContact CG2-CD2 3.97Å; V49-A643 HydrophobicContact CG1-CB 4.29Å |
| 50 | N | 94.5 | Very high | 86.6 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.08 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125 | 174.3 | 175 | 22.7 | 0 | 0 | 0 | 109 | Y8 E9 E59 | Y8-N50 WeakPolarHBondContact CA-O 3.31Å; E9-N50 HydrophobicContact CB-CB 4.41Å; E9-N50 PolarHBondContact N-O 2.99Å; E9-N50 PolarHBondContact O-N 3.3Å; N50-E59 HydrophobicContact CB-CG 4.39Å |
| 51 | A | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V6 Y8 S57 T58 M629 T645 | V6-A51 HydrophobicContact CG1-CB 3.75Å; Y8-A51 HydrophobicContact CD1-CB 4.35Å; Y8-A51 HydrophobicContact CE1-CB 4.22Å; A51-S57 CarbonylContact O-C 3.53Å; A51-S57 WeakPolarHBondContact O-CA 3.46Å; A51-T58 HydrophobicContact CB-CG2 3.91Å; A51-T58 PolarHBondContact N-O 3.3Å; A51-T58 PolarHBondContact O-N 3.36Å; A51-M629 HydrophobicContact CB-CE 3.78Å; A51-M629 HydrophobicContact CB-SD 3.8Å; A51-T645 HydrophobicContact CB-CG2 4.02Å; A51-T645 VanDerWaalsContact CB-OG1 3.32Å; A51-T645 WeakPolarHBondContact CB-OG1 3.47Å |
| 52 | S | 91 | Very high | 86.8 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.2 | -169.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | V6 N7 | V6-S52 WeakPolarHBondContact CA-O 3.45Å; N7-S52 PolarHBondContact N-O 3.18Å; N7-S52 PolarHBondContact O-N 3.36Å; N7-S52 PolarHBondContact O-OG 3.38Å |
| 53 | Y | 87.4 | Confident | 87 | Confident | 22 Ų | 22 | 52 Ų | 52 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 109.6 | 169.4 | -176.9 | -114.8 | 0 | 0 | 0 | 110.3 | P5 V56 L659 S661 D675 | P5-Y53 HydrophobicContact CG-CD2 4.13Å; P5-Y53 HydrophobicContact CG-CE2 3.66Å; Y53-V56 PolarHBondContact N-O 2.95Å; Y53-V56 PolarHBondContact O-N 3.01Å; Y53-L659 HydrophobicContact CD1-CD1 4.02Å; Y53-L659 HydrophobicContact CE1-CB 4.5Å; Y53-L659 HydrophobicContact CE1-CD1 4.32Å; Y53-L659 WeakPolarHBondContact O-CD1 3.36Å; Y53-S661 WeakPolarHBondContact OH-CA 3.34Å; Y53-D675 WeakPolarHBondContact CE2-OD2 3.34Å; Y53-D675 PolarHBondContact OH-OD2 2.75Å |
| 54 | G | 82.3 | Confident | 86.9 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -134.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | V56 | G54-V56 VanDerWaalsContact C-N 3.27Å; G54-V56 PolarHBondContact O-N 3.48Å |
| 55 | P | 83.2 | Confident | 87.1 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 72% | 0.721 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.1 | 174.3 | 32.4 | -37.9 | 0 | 0 | 0 | 114.7 | L659 | P55-L659 HydrophobicContact CG-CD1 4.17Å; P55-L659 HydrophobicContact CG-CD2 3.81Å |
| 56 | V | 86.8 | Confident | 87.1 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.218 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.7 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | Y53 G54 L627 L659 | Y53-V56 PolarHBondContact N-O 2.95Å; Y53-V56 PolarHBondContact O-N 3.01Å; G54-V56 VanDerWaalsContact C-N 3.27Å; G54-V56 PolarHBondContact O-N 3.48Å; V56-L627 HydrophobicContact CG1-CB 4.27Å; V56-L627 HydrophobicContact CG1-CD1 4.19Å; V56-L627 HydrophobicContact CG1-CG 3.81Å; V56-L659 HydrophobicContact CB-CD1 4.12Å; V56-L659 HydrophobicContact CG2-CD1 3.67Å; V56-L659 HydrophobicContact CG2-CG 4.15Å |
| 57 | S | 90.5 | Very high | 86.6 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 56% | 0.559 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.6 | 172.7 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | A51 | A51-S57 CarbonylContact O-C 3.53Å; A51-S57 WeakPolarHBondContact O-CA 3.46Å |
| 58 | T | 92.4 | Very high | 85.4 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.6 | 170.9 | -168.2 | 0 | 0 | 0 | 0 | 108.6 | A51 L627 M629 T645 | A51-T58 HydrophobicContact CB-CG2 3.91Å; A51-T58 PolarHBondContact N-O 3.3Å; A51-T58 PolarHBondContact O-N 3.36Å; T58-L627 WeakPolarHBondContact CB-O 3.27Å; T58-L627 HydrophobicContact CG2-CB 3.59Å; T58-L627 PolarHBondContact OG1-O 3.28Å; T58-M629 HydrophobicContact CG2-CB 3.82Å; T58-M629 HydrophobicContact CG2-CE 4.47Å; T58-M629 WeakPolarHBondContact O-CE 3.49Å; T58-T645 HydrophobicContact CG2-CG2 4.28Å |
| 59 | E | 93.3 | Very high | 83.4 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.4 | -178.6 | -167.3 | 170.8 | -112.7 | 0 | 0 | 109.4 | R11 A48 V49 N50 | R11-E59 IonicContact CZ-OE1 3.91Å; R11-E59 IonicContact NE-OE1 3.28Å; R11-E59 IonicContact NH1-OE1 2.95Å; R11-E59 PolarHBondContact NH1-OE1 3.12Å; A48-E59 HydrophobicContact CB-CG 3.9Å; V49-E59 CarbonylContact O-C 3.55Å; V49-E59 WeakPolarHBondContact O-CA 3.48Å; N50-E59 HydrophobicContact CB-CG 4.39Å |
| 60 | R | 92.6 | Very high | 81.5 | Confident | 116 Ų | 116 | 53 Ų | 53 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 119.9 | 179 | -166.9 | 164.1 | -175.8 | 144.1 | 8.2 | 110.2 | V49 M629 L631 | V49-R60 PolarHBondContact N-O 2.85Å; V49-R60 PolarHBondContact O-N 3.4Å; R60-M629 HydrophobicContact CB-CE 4.01Å; R60-M629 WeakPolarHBondContact CD-O 3Å; R60-M629 PolarHBondContact NH1-O 2.98Å; R60-L631 HydrophobicContact CB-CD1 4.26Å; R60-L631 HydrophobicContact CG-CD1 4.05Å; R60-L631 HydrophobicContact CG-CG 4.41Å |
| 61 | L | 90.6 | Very high | 79.6 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 136.8 | 169.9 | -61 | 177.7 | 0 | 0 | 0 | 109.6 | Q46 A48 P63 | Q46-L61 HydrophobicContact CG-CB 4.32Å; Q46-L61 HydrophobicContact CG-CD2 4.43Å; A48-L61 HydrophobicContact CB-CD2 4.04Å; L61-P63 VanDerWaalsContact O-CD 3.29Å; L61-P63 WeakPolarHBondContact O-CD 3.35Å |
| 62 | V | 88.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 120.9 | 174.2 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | F38 L40 Q46 P47 V49 L66 V67 F81 L631 I641 | F38-V62 HydrophobicContact CZ-CG2 4.44Å; L40-V62 HydrophobicContact CD1-CG1 4.23Å; L40-V62 HydrophobicContact CD1-CG2 4.48Å; Q46-V62 PolarHBondContact NE2-O 2.78Å; P47-V62 HydrophobicContact CB-CB 4.42Å; P47-V62 HydrophobicContact CB-CG2 3.96Å; P47-V62 PolarHBondContact O-N 3.26Å; V49-V62 HydrophobicContact CG2-CG2 3.79Å; V62-L66 HydrophobicContact CG1-CB 4.31Å; V62-V67 HydrophobicContact CG1-CG2 3.66Å; V62-F81 WeakPolarHBondContact O-CZ 3.23Å; V62-L631 HydrophobicContact CG2-CD1 4.16Å; V62-I641 HydrophobicContact CG1-CD1 3.94Å |
| 63 | P | 84.3 | Confident | 76.3 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 143 | 177.7 | -22.6 | 34.6 | 0 | 0 | 0 | 112.1 | L61 D65 L66 | L61-P63 VanDerWaalsContact O-CD 3.29Å; L61-P63 WeakPolarHBondContact O-CD 3.35Å; P63-D65 WeakPolarHBondContact CB-OD1 3.38Å; P63-D65 PolarHBondContact O-N 3.36Å; P63-L66 HydrophobicContact CB-CG 4.25Å; P63-L66 HydrophobicContact CG-CD1 4.31Å; P63-L66 HydrophobicContact CG-CG 4.34Å; P63-L66 PolarHBondContact O-N 2.74Å |
| 64 | L | 74.4 | Confident | 74.7 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | -179.2 | -86.4 | 162.3 | 0 | 0 | 0 | 112.3 | L66 V67 Q68 Q71 F81 | L64-L66 PolarHBondContact O-N 2.91Å; L64-V67 PolarHBondContact O-N 2.85Å; L64-Q68 PolarHBondContact O-N 2.97Å; L64-Q71 HydrophobicContact CB-CG 4.33Å; L64-Q71 VanDerWaalsContact CD1-NE2 3.32Å; L64-F81 HydrophobicContact CB-CZ 4.48Å; L64-F81 HydrophobicContact CD2-CD2 3.98Å; L64-F81 HydrophobicContact CD2-CE1 4.34Å; L64-F81 HydrophobicContact CD2-CE2 3.31Å; L64-F81 HydrophobicContact CD2-CZ 3.53Å; L64-F81 HydrophobicContact CG-CE2 3.76Å; L64-F81 HydrophobicContact CG-CZ 3.73Å |
| 65 | D | 73.6 | Confident | 72.9 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.9 | -15.3 | 176.7 | 58.9 | -73.2 | 0 | 0 | 0 | 114.2 | P63 Q68 R633 | P63-D65 WeakPolarHBondContact CB-OD1 3.38Å; P63-D65 PolarHBondContact O-N 3.36Å; D65-Q68 CarbonylContact C-O 3.05Å; D65-R633 PolarHBondContact O-NH1 2.92Å; D65-R633 PolarHBondContact O-NH2 2.8Å |
| 66 | L | 75.7 | Confident | 71.3 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -87.1 | -23.7 | 172.5 | -57.4 | -167.6 | 0 | 0 | 0 | 113 | V62 P63 L64 L631 R633 I641 | V62-L66 HydrophobicContact CG1-CB 4.31Å; P63-L66 HydrophobicContact CB-CG 4.25Å; P63-L66 HydrophobicContact CG-CD1 4.31Å; P63-L66 HydrophobicContact CG-CG 4.34Å; P63-L66 PolarHBondContact O-N 2.74Å; L64-L66 PolarHBondContact O-N 2.91Å; L66-L631 HydrophobicContact CD1-CB 3.74Å; L66-R633 HydrophobicContact CD2-CG 4.16Å; L66-R633 VanDerWaalsContact O-CZ 3.25Å; L66-R633 PolarHBondContact O-NE 3.06Å; L66-R633 PolarHBondContact O-NH2 2.86Å; L66-I641 HydrophobicContact CB-CD1 4.19Å; L66-I641 HydrophobicContact CD1-CG2 4.08Å |
| 67 | V | 70.3 | Confident | 69.6 | Low | 38 Ų | 38 | 68.4 Ų | 68.4 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -103.7 | -41.8 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | L40 V62 L64 F81 N82 I641 | L40-V67 HydrophobicContact CD1-CG2 3.59Å; V62-V67 HydrophobicContact CG1-CG2 3.66Å; L64-V67 PolarHBondContact O-N 2.85Å; V67-F81 HydrophobicContact CB-CD1 3.93Å; V67-F81 HydrophobicContact CB-CE1 3.83Å; V67-F81 HydrophobicContact CG1-CD1 3.9Å; V67-F81 HydrophobicContact CG1-CE1 4.33Å; V67-F81 HydrophobicContact CG2-CD1 3.87Å; V67-F81 HydrophobicContact CG2-CE1 3.64Å; V67-N82 HydrophobicContact CG1-CB 4.37Å; V67-I641 HydrophobicContact CG2-CD1 4.28Å |
| 68 | Q | 62.7 | Low | 67.7 | Low | 29 Ų | 29 | 67 Ų | 67 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | trans | -101.9 | 162.4 | 175.8 | -63.3 | 173.4 | 19.5 | 0 | 0 | 109.8 | L64 D65 F81 R633 | L64-Q68 PolarHBondContact O-N 2.97Å; D65-Q68 CarbonylContact C-O 3.05Å; Q68-F81 PolarHBondContact NE2-O 2.85Å; Q68-R633 PolarHBondContact O-NH2 3.07Å | ||
| 69 | S | 49.9 | Very low | 66 | Low | 92 Ų | 92 | 66.4 Ų | 66.4 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -97.2 | -25.7 | 179.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 70 | V | 53.6 | Low | 64.4 | Low | 35 Ų | 35 | 62.1 Ų | 62.1 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | trans | -145.9 | 129.4 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 109 | L72 P213 | V70-L72 HydrophobicContact CB-CD2 4.15Å; V70-L72 HydrophobicContact CB-CG 4.03Å; V70-L72 HydrophobicContact CG1-CD2 3.62Å; V70-L72 HydrophobicContact CG1-CG 3.87Å; V70-L72 PolarHBondContact O-N 3.08Å; V70-L72 VanDerWaalsContact O-N 3.08Å; V70-P213 HydrophobicContact CG1-CB 4.38Å | ||
| 71 | Q | 55.4 | Low | 62.9 | Low | 127 Ų | 127 | 57.5 Ų | 57.5 | 59% | 0.593 | 32% | 0.322 | S | S | * | . | trans | -72.5 | 95.6 | 164.5 | -75.9 | 179.4 | -33.1 | 0 | 0 | 108.7 | L64 | L64-Q71 HydrophobicContact CB-CG 4.33Å; L64-Q71 VanDerWaalsContact CD1-NE2 3.32Å | ||
| 72 | L | 54.9 | Low | 61.7 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | trans | -92.2 | -18.6 | 179 | -63 | 162.7 | 0 | 0 | 0 | 112.8 | V70 A186 T215 | V70-L72 HydrophobicContact CB-CD2 4.15Å; V70-L72 HydrophobicContact CB-CG 4.03Å; V70-L72 HydrophobicContact CG1-CD2 3.62Å; V70-L72 HydrophobicContact CG1-CG 3.87Å; V70-L72 PolarHBondContact O-N 3.08Å; V70-L72 VanDerWaalsContact O-N 3.08Å; L72-A186 HydrophobicContact CD1-CB 4.22Å; L72-T215 HydrophobicContact CD1-CG2 3.53Å; L72-T215 HydrophobicContact CD2-CG2 3.8Å; L72-T215 HydrophobicContact CG-CG2 4.19Å | ||
| 73 | F | 60.2 | Low | 61 | Low | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -144.7 | 150 | -172.7 | -55.4 | -70.4 | 0 | 0 | 0 | 112.2 | A75 W83 E121 P123 | F73-A75 PolarHBondContact O-N 3.46Å; F73-W83 AromaticContact CD2-CH2 3.71Å; F73-W83 HydrophobicContact CD2-CH2 3.71Å; F73-W83 AromaticContact CD2-CZ2 3.77Å; F73-W83 HydrophobicContact CD2-CZ2 3.77Å; F73-W83 AromaticContact CE2-CH2 3.78Å; F73-W83 HydrophobicContact CE2-CH2 3.78Å; F73-W83 HydrophobicContact CE2-CZ2 4.3Å; F73-E121 WeakPolarHBondContact CD1-O 3.34Å; F73-P123 HydrophobicContact CD2-CG 4.34Å; F73-P123 HydrophobicContact CE1-CB 4.23Å; F73-P123 HydrophobicContact CE1-CG 4.27Å; F73-P123 HydrophobicContact CE2-CB 3.88Å; F73-P123 HydrophobicContact CE2-CG 3.39Å; F73-P123 HydrophobicContact CZ-CB 3.39Å; F73-P123 VanDerWaalsContact CZ-CD 3.48Å; F73-P123 HydrophobicContact CZ-CG 3.4Å; F73-P123 VanDerWaalsContact CZ-CG 3.4Å |
| 74 | N | 53.2 | Low | 60.8 | Low | 155 Ų | 155 | 57.4 Ų | 57.4 | 83% | 0.829 | 31% | 0.314 | S | S | * | . | trans | -74.8 | 76 | 153.1 | -68.8 | -25.3 | 0 | 0 | 0 | 107.9 | P76 | N74-P76 WeakPolarHBondContact O-CD 3.43Š| ||
| 75 | A | 45.5 | Very low | 61.4 | Low | 52 Ų | 52 | 55.6 Ų | 55.6 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | trans | -64 | 125.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F73 | F73-A75 PolarHBondContact O-N 3.46Š| ||
| 76 | P | 49.4 | Very low | 62.1 | Low | 49 Ų | 49 | 53.1 Ų | 53.1 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | trans | -72.1 | 168 | 173.7 | 30.1 | -33.7 | 0 | 0 | 0 | 111.3 | N74 V78 F79 A118 D120 | N74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-V78 HydrophobicContact CB-CG2 4.37Å; P76-V78 HydrophobicContact CG-CG2 4.37Å; P76-V78 PolarHBondContact O-N 2.7Å; P76-F79 HydrophobicContact CG-CD2 4.35Å; P76-F79 HydrophobicContact CG-CE2 4.19Å; P76-A118 HydrophobicContact CG-CB 4.44Å; P76-D120 VanDerWaalsContact CG-OD1 3.23Å; P76-D120 WeakPolarHBondContact CG-OD1 3.33Å | ||
| 77 | D | 50.3 | Low | 62.9 | Low | 166 Ų | 166 | 53.5 Ų | 53.5 | 89% | 0.888 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 17.2 | -178.3 | -62.7 | -53.8 | 0 | 0 | 0 | 115.8 | ||
| 78 | V | 51.5 | Low | 63.9 | Low | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -22.4 | -173.1 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | P76 | P76-V78 HydrophobicContact CB-CG2 4.37Å; P76-V78 HydrophobicContact CG-CG2 4.37Å; P76-V78 PolarHBondContact O-N 2.7Å |
| 79 | F | 55.6 | Low | 65.3 | Low | 19 Ų | 19 | 53.7 Ų | 53.7 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.6 | -178.2 | -65.1 | -87.5 | 0 | 0 | 0 | 112.3 | P76 W83 V107 R110 D120 L122 | P76-F79 HydrophobicContact CG-CD2 4.35Å; P76-F79 HydrophobicContact CG-CE2 4.19Å; F79-W83 HydrophobicContact CB-CG 4.46Å; F79-V107 HydrophobicContact CD1-CG1 3.97Å; F79-V107 HydrophobicContact CE1-CG1 3.84Å; F79-R110 HydrophobicContact CD1-CB 4.01Å; F79-R110 HydrophobicContact CD1-CG 4.02Å; F79-R110 HydrophobicContact CE1-CB 3.86Å; F79-R110 HydrophobicContact CE1-CG 3.61Å; F79-R110 HydrophobicContact CZ-CG 4.32Å; F79-D120 HydrophobicContact CE2-CB 4.16Å; F79-D120 HydrophobicContact CZ-CB 4.18Å; F79-D120 VanDerWaalsContact CZ-OD2 3.32Å; F79-D120 WeakPolarHBondContact CZ-OD2 3.39Å; F79-L122 HydrophobicContact CE1-CD2 4.17Å; F79-L122 HydrophobicContact CE2-CD2 4.38Å; F79-L122 HydrophobicContact CZ-CD1 4.44Å; F79-L122 HydrophobicContact CZ-CD2 3.72Å; F79-L122 HydrophobicContact CZ-CG 4.49Å |
| 80 | T | 60.3 | Low | 67.1 | Low | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 144 | 166.8 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | R42 A43 N82 W83 G109 | R42-T80 HydrophobicContact CG-CG2 4.45Å; A43-T80 CarbonylContact O-C 3.43Å; A43-T80 WeakPolarHBondContact O-CA 3.25Å; A43-T80 WeakPolarHBondContact O-CB 3.31Å; T80-N82 WeakPolarHBondContact CB-OD1 3.47Å; T80-N82 PolarHBondContact O-N 2.85Å; T80-N82 PolarHBondContact OG1-OD1 2.89Å; T80-W83 PolarHBondContact O-N 2.83Å; T80-W83 VanDerWaalsContact O-N 3.1Å; T80-G109 VanDerWaalsContact CG2-O 3.31Å; T80-G109 WeakPolarHBondContact CG2-O 3.36Å; T80-G109 WeakPolarHBondContact OG1-CA 3.29Å; T80-G109 PolarHBondContact OG1-O 2.64Å; T80-G109 VanDerWaalsContact OG1-O 3.06Å |
| 81 | F | 61.5 | Low | 68.4 | Low | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.088 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -12.1 | -174.1 | -162.1 | -110.3 | 0 | 0 | 0 | 113.6 | A43 Q46 P47 V62 L64 V67 Q68 | A43-F81 HydrophobicContact CB-CB 3.84Å; A43-F81 PolarHBondContact O-N 2.86Å; Q46-F81 HydrophobicContact CB-CD2 3.99Å; Q46-F81 HydrophobicContact CB-CE2 3.63Å; Q46-F81 HydrophobicContact CB-CZ 4.23Å; Q46-F81 HydrophobicContact CG-CD2 4.37Å; Q46-F81 HydrophobicContact CG-CE2 3.6Å; Q46-F81 HydrophobicContact CG-CZ 3.7Å; P47-F81 HydrophobicContact CG-CD1 4.06Å; V62-F81 WeakPolarHBondContact O-CZ 3.23Å; L64-F81 HydrophobicContact CB-CZ 4.48Å; L64-F81 HydrophobicContact CD2-CD2 3.98Å; L64-F81 HydrophobicContact CD2-CE1 4.34Å; L64-F81 HydrophobicContact CD2-CE2 3.31Å; L64-F81 HydrophobicContact CD2-CZ 3.53Å; L64-F81 HydrophobicContact CG-CE2 3.76Å; L64-F81 HydrophobicContact CG-CZ 3.73Å; V67-F81 HydrophobicContact CB-CD1 3.93Å; V67-F81 HydrophobicContact CB-CE1 3.83Å; V67-F81 HydrophobicContact CG1-CD1 3.9Å; V67-F81 HydrophobicContact CG1-CE1 4.33Å; V67-F81 HydrophobicContact CG2-CD1 3.87Å; V67-F81 HydrophobicContact CG2-CE1 3.64Å; Q68-F81 PolarHBondContact NE2-O 2.85Å |
| 82 | N | 64.4 | Low | 69.7 | Low | 31 Ų | 31 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 20.2 | -179 | 71.6 | -33.9 | 0 | 0 | 0 | 114.1 | L41 V67 T80 | L41-N82 PolarHBondContact O-ND2 2.9Å; V67-N82 HydrophobicContact CG1-CB 4.37Å; T80-N82 WeakPolarHBondContact CB-OD1 3.47Å; T80-N82 PolarHBondContact O-N 2.85Å; T80-N82 PolarHBondContact OG1-OD1 2.89Å |
| 83 | W | 74.6 | Confident | 71.1 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 11% | 0.114 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 151.2 | -179.8 | 72.6 | -91.6 | 0 | 0 | 0 | 113 | F73 F79 T80 I85 V107 A108 | F73-W83 AromaticContact CD2-CH2 3.71Å; F73-W83 HydrophobicContact CD2-CH2 3.71Å; F73-W83 AromaticContact CD2-CZ2 3.77Å; F73-W83 HydrophobicContact CD2-CZ2 3.77Å; F73-W83 AromaticContact CE2-CH2 3.78Å; F73-W83 HydrophobicContact CE2-CH2 3.78Å; F73-W83 HydrophobicContact CE2-CZ2 4.3Å; F79-W83 HydrophobicContact CB-CG 4.46Å; T80-W83 PolarHBondContact O-N 2.83Å; T80-W83 VanDerWaalsContact O-N 3.1Å; W83-I85 HydrophobicContact CZ3-CD1 4.45Å; W83-I85 HydrophobicContact CZ3-CG1 3.8Å; W83-V107 HydrophobicContact CB-CG1 4.33Å; W83-V107 HydrophobicContact CD2-CG1 4.45Å; W83-V107 HydrophobicContact CE3-CG1 3.89Å; W83-A108 CarbonylContact C-O 3.57Å; W83-A108 VanDerWaalsContact CA-O 3.24Å; W83-A108 WeakPolarHBondContact CA-O 3.32Å; W83-A108 WeakPolarHBondContact CB-O 3.44Å |
| 84 | K | 80.6 | Confident | 72.2 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.3 | -176 | -54.6 | 171.8 | -161.1 | 169.1 | 0 | 110.1 | V107 A108 D388 | K84-V107 CarbonylContact O-C 3.5Å; K84-A108 HydrophobicContact CB-CB 4.49Å; K84-A108 PolarHBondContact N-O 2.97Å; K84-A108 PolarHBondContact O-N 3.04Å; K84-D388 IonicContact NZ-OD1 2.86Å; K84-D388 PolarHBondContact NZ-OD1 2.9Å; K84-D388 IonicContact NZ-OD2 3.85Å; K84-D388 PolarHBondContact NZ-OD2 2.86Å |
| 85 | I | 86.1 | Confident | 73.6 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.5 | 163.9 | -55.9 | 179.1 | 0 | 0 | 0 | 107.2 | W83 F105 P123 V125 I142 Y184 A186 | W83-I85 HydrophobicContact CZ3-CD1 4.45Å; W83-I85 HydrophobicContact CZ3-CG1 3.8Å; I85-F105 HydrophobicContact CG2-CD1 3.99Å; I85-P123 HydrophobicContact CD1-CB 4.01Å; I85-P123 HydrophobicContact CD1-CG 3.75Å; I85-P123 HydrophobicContact CG1-CG 4.38Å; I85-V125 HydrophobicContact CD1-CG2 4.01Å; I85-V125 HydrophobicContact CG2-CG2 4.28Å; I85-I142 HydrophobicContact CD1-CD1 4.44Å; I85-I142 HydrophobicContact CG2-CD1 4.22Å; I85-Y184 HydrophobicContact CB-CE2 4.04Å; I85-Y184 HydrophobicContact CD1-CE2 4.39Å; I85-Y184 HydrophobicContact CG2-CE2 3.92Å; I85-Y184 PolarHBondContact O-OH 3.32Å; I85-A186 HydrophobicContact CD1-CB 3.5Å |
| 86 | Q | 89.4 | Confident | 75.4 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 153.9 | 171.8 | -72.8 | -67.6 | 3.2 | 0 | 0 | 110.3 | F105 Y106 A108 | Q86-F105 VanDerWaalsContact O-CA 3.3Å; Q86-F105 WeakPolarHBondContact O-CA 3.36Å; Q86-Y106 HydrophobicContact CB-CD1 3.94Å; Q86-Y106 HydrophobicContact CB-CD2 4.29Å; Q86-Y106 HydrophobicContact CB-CE1 3.49Å; Q86-Y106 VanDerWaalsContact CB-CE1 3.49Å; Q86-Y106 HydrophobicContact CB-CE2 3.87Å; Q86-Y106 HydrophobicContact CB-CG 4.33Å; Q86-Y106 VanDerWaalsContact CB-CZ 3.47Å; Q86-Y106 HydrophobicContact CG-CE1 4.49Å; Q86-Y106 HydrophobicContact CG-CE2 4.23Å; Q86-Y106 PolarHBondContact N-O 2.63Å; Q86-Y106 PolarHBondContact O-N 2.79Å; Q86-A108 HydrophobicContact CG-CB 3.69Å |
| 87 | A | 91.9 | Very high | 76.7 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V103 L104 F105 I220 | A87-V103 HydrophobicContact CB-CG1 4.15Å; A87-L104 CarbonylContact C-O 3.56Å; A87-L104 WeakPolarHBondContact CA-O 3.24Å; A87-F105 HydrophobicContact CB-CD1 3.69Å; A87-F105 HydrophobicContact CB-CE1 3.47Å; A87-F105 VanDerWaalsContact CB-CE1 3.47Å; A87-F105 HydrophobicContact CB-CZ 4.33Å; A87-I220 HydrophobicContact CB-CD1 4.22Å; A87-I220 HydrophobicContact CB-CG1 4.07Å; A87-I220 HydrophobicContact CB-CG2 4.01Å |
| 88 | F | 91.9 | Very high | 78.1 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122 | 180 | -166.2 | -84 | 0 | 0 | 0 | 110.3 | L90 V103 L104 L382 A383 P384 A467 Q468 | F88-L90 HydrophobicContact CD1-CD2 4.03Å; F88-L90 HydrophobicContact CE1-CD2 4.39Å; F88-L90 PolarHBondContact O-N 2.8Å; F88-V103 WeakPolarHBondContact O-CA 3.34Å; F88-L104 HydrophobicContact CB-CB 4.5Å; F88-L104 PolarHBondContact N-O 3.35Å; F88-L104 PolarHBondContact O-N 3.35Å; F88-L382 WeakPolarHBondContact CE1-O 3.28Å; F88-A383 HydrophobicContact CB-CB 4.39Å; F88-A383 HydrophobicContact CD1-CB 3.7Å; F88-A383 HydrophobicContact CD2-CB 4.48Å; F88-A383 HydrophobicContact CE1-CB 4.11Å; F88-A383 HydrophobicContact CG-CB 3.92Å; F88-P384 HydrophobicContact CE2-CG 4.45Å; F88-A467 HydrophobicContact CZ-CB 3.99Å; F88-Q468 WeakPolarHBondContact CE2-O 3.47Å |
| 89 | V | 91.3 | Very high | 79.8 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 103.9 | -177.4 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | T91 V103 L182 I220 V223 | V89-T91 PolarHBondContact O-N 3.5Å; V89-V103 HydrophobicContact CG2-CG2 4.38Å; V89-L182 HydrophobicContact CG1-CD1 4.46Å; V89-L182 HydrophobicContact CG2-CD1 4.11Å; V89-I220 HydrophobicContact CG2-CG2 3.66Å; V89-V223 HydrophobicContact CG1-CG2 3.77Å |
| 90 | L | 87.9 | Confident | 81.4 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -70.1 | -23.8 | -178.8 | -62.3 | 168.3 | 0 | 0 | 0 | 112.4 | F88 R102 L104 M150 V380 A383 V411 | F88-L90 HydrophobicContact CD1-CD2 4.03Å; F88-L90 HydrophobicContact CE1-CD2 4.39Å; F88-L90 PolarHBondContact O-N 2.8Å; L90-R102 HydrophobicContact CB-CB 4.36Å; L90-R102 HydrophobicContact CD1-CB 4.24Å; L90-R102 PolarHBondContact N-O 3.31Å; L90-L104 HydrophobicContact CD1-CB 4.25Å; L90-L104 HydrophobicContact CG-CB 4.37Å; L90-M150 HydrophobicContact CD1-CG 4.44Å; L90-V380 HydrophobicContact CB-CG1 4.4Å; L90-A383 HydrophobicContact CD2-CB 4.32Å; L90-V411 HydrophobicContact CD1-CB 3.92Å; L90-V411 HydrophobicContact CD1-CG1 3.99Å; L90-V411 HydrophobicContact CD1-CG2 3.95Å; L90-V411 HydrophobicContact CD2-CG2 4.17Å |
| 91 | T | 80.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | trans | -126.6 | 72.6 | -174.8 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | V89 R93 V94 V101 R102 V380 | V89-T91 PolarHBondContact O-N 3.5Å; T91-R93 PolarHBondContact O-N 2.91Å; T91-V94 WeakPolarHBondContact O-CG2 3.35Å; T91-V101 WeakPolarHBondContact OG1-CA 3.41Å; T91-R102 HydrophobicContact CG2-CB 4.31Å; T91-R102 PolarHBondContact OG1-N 3.45Å; T91-V380 HydrophobicContact CG2-CG1 4.1Å | ||
| 92 | P | 82 | Confident | 84.3 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69.5 | -17.1 | -178.5 | 28.2 | -35.9 | 0 | 0 | 0 | 113.7 | Q224 | P92-Q224 PolarHBondContact O-N 2.78Š|
| 93 | R | 84.4 | Confident | 85.7 | Confident | 153 Ų | 153 | 45.7 Ų | 45.7 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.9 | 168.6 | -73.7 | 178 | 176.1 | 147.6 | 4.8 | 109.1 | T91 F95 Q224 L226 | T91-R93 PolarHBondContact O-N 2.91Å; R93-F95 HydrophobicContact CB-CE2 4.43Å; R93-F95 HydrophobicContact CB-CZ 4.41Å; R93-Q224 WeakPolarHBondContact CA-O 3.39Å; R93-Q224 HydrophobicContact CG-CB 4.1Å; R93-L226 HydrophobicContact CB-CD1 4.19Å; R93-L226 HydrophobicContact CG-CD1 4.14Å |
| 94 | V | 84.7 | Confident | 86.6 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.9 | -179.8 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | T91 K100 V101 F160 V223 Q224 L226 | T91-V94 WeakPolarHBondContact O-CG2 3.35Å; V94-K100 WeakPolarHBondContact CG1-O 3.27Å; V94-K100 WeakPolarHBondContact CG2-O 3.03Å; V94-V101 HydrophobicContact CG2-CG2 4.21Å; V94-F160 HydrophobicContact CG1-CE1 4Å; V94-F160 HydrophobicContact CG1-CZ 3.91Å; V94-V223 HydrophobicContact CB-CG1 4.29Å; V94-V223 HydrophobicContact CG2-CG1 3.7Å; V94-Q224 PolarHBondContact N-O 2.83Å; V94-L226 PolarHBondContact O-N 2.92Å |
| 95 | F | 82.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 25% | 0.254 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.7 | -172.4 | -61.1 | -81.8 | 0 | 0 | 0 | 111.3 | R93 S97 K98 L226 I228 T234 | R93-F95 HydrophobicContact CB-CE2 4.43Å; R93-F95 HydrophobicContact CB-CZ 4.41Å; F95-S97 PolarHBondContact O-N 2.69Å; F95-K98 CarbonylContact O-C 3.57Å; F95-K98 PolarHBondContact O-N 2.97Å; F95-L226 WeakPolarHBondContact CA-O 3.4Å; F95-L226 HydrophobicContact CD1-CB 3.63Å; F95-L226 HydrophobicContact CD1-CD1 4.15Å; F95-L226 HydrophobicContact CE1-CB 3.85Å; F95-L226 HydrophobicContact CE1-CD1 3.5Å; F95-L226 HydrophobicContact CE1-CG 4.33Å; F95-L226 HydrophobicContact CZ-CD1 4.02Å; F95-I228 HydrophobicContact CB-CD1 3.77Å; F95-I228 HydrophobicContact CB-CG1 4.33Å; F95-I228 HydrophobicContact CD1-CD1 3.61Å; F95-I228 HydrophobicContact CD1-CG1 3.87Å; F95-I228 HydrophobicContact CE1-CD1 4.4Å; F95-I228 HydrophobicContact CG-CD1 3.84Å; F95-I228 HydrophobicContact CG-CG1 4.46Å; F95-T234 HydrophobicContact CD2-CG2 4Å; F95-T234 HydrophobicContact CE1-CG2 4.21Å; F95-T234 HydrophobicContact CE2-CG2 3.65Å; F95-T234 HydrophobicContact CG-CG2 4.43Å; F95-T234 HydrophobicContact CZ-CG2 3.76Å |
| 96 | S | 81.8 | Confident | 87.3 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.9 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 115.1 | L226 I228 | S96-L226 PolarHBondContact N-O 3.14Å; S96-L226 VanDerWaalsContact N-O 3.11Å; S96-I228 PolarHBondContact OG-N 3.4Å; S96-I228 PolarHBondContact OG-O 2.88Å |
| 97 | S | 77.4 | Confident | 87.1 | Confident | 79 Ų | 79 | 38.4 Ų | 38.4 | 55% | 0.552 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14.7 | 174.7 | 59 | 0 | 0 | 0 | 0 | 114.8 | F95 | F95-S97 PolarHBondContact O-N 2.69Š|
| 98 | K | 80.3 | Confident | 86.7 | Confident | 116 Ų | 116 | 37.1 Ų | 37.1 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -141.6 | 75 | 169 | -91.5 | -158.6 | 165.9 | -160.5 | 0 | 107.9 | F95 K100 E413 | F95-K98 CarbonylContact O-C 3.57Å; F95-K98 PolarHBondContact O-N 2.97Å; K98-K100 VanDerWaalsContact C-N 3.28Å; K98-K100 PolarHBondContact O-N 3.39Å; K98-E413 IonicContact NZ-OE2 2.8Å; K98-E413 PolarHBondContact NZ-OE2 3.45Å |
| 99 | P | 86.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | trans | -76.5 | 77.7 | -177.4 | 32.6 | -36.2 | 0 | 0 | 0 | 110.9 | P155 F160 | P99-P155 HydrophobicContact CB-CG 4.38Å; P99-F160 HydrophobicContact CB-CE2 3.55Å; P99-F160 HydrophobicContact CB-CZ 3.56Å | ||
| 100 | K | 88.7 | Confident | 84.6 | Confident | 66 Ų | 66 | 35.4 Ų | 35.4 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | trans | -138.9 | 128.2 | 175.6 | -71 | -173.3 | 166.3 | -148.2 | 0 | 109.4 | V94 K98 R102 E152 L153 L154 | V94-K100 WeakPolarHBondContact CG1-O 3.27Å; V94-K100 WeakPolarHBondContact CG2-O 3.03Å; K98-K100 VanDerWaalsContact C-N 3.28Å; K98-K100 PolarHBondContact O-N 3.39Å; K100-R102 VanDerWaalsContact NZ-NH2 3.16Å; K100-E152 HydrophobicContact CD-CG 4.44Å; K100-E152 WeakPolarHBondContact CD-OE1 3.33Å; K100-E152 WeakPolarHBondContact CE-OE1 3.34Å; K100-E152 IonicContact NZ-OE1 2.7Å; K100-E152 PolarHBondContact NZ-OE1 3.48Å; K100-E152 IonicContact NZ-OE2 3.83Å; K100-E152 PolarHBondContact NZ-OE2 3.02Å; K100-L153 WeakPolarHBondContact CA-O 3.47Å; K100-L154 HydrophobicContact CG-CD2 3.99Å | ||
| 101 | V | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133 | 164.3 | -160.1 | 0 | 0 | 0 | 0 | 107.9 | T91 V94 E152 L153 P155 L182 V223 F225 | T91-V101 WeakPolarHBondContact OG1-CA 3.41Å; V94-V101 HydrophobicContact CG2-CG2 4.21Å; V101-E152 WeakPolarHBondContact O-CA 3.39Å; V101-L153 HydrophobicContact CB-CB 4.05Å; V101-L153 HydrophobicContact CB-CD1 4.07Å; V101-L153 HydrophobicContact CG1-CD1 4.49Å; V101-L153 HydrophobicContact CG2-CB 4.3Å; V101-L153 PolarHBondContact N-O 3Å; V101-L153 PolarHBondContact O-N 3.07Å; V101-P155 HydrophobicContact CG2-CG 4.34Å; V101-L182 HydrophobicContact CG1-CD1 4.11Å; V101-V223 HydrophobicContact CG1-CG1 4.44Å; V101-V223 HydrophobicContact CG1-CG2 4.07Å; V101-F225 HydrophobicContact CG2-CE2 4.17Å; V101-F225 HydrophobicContact CG2-CZ 3.7Å |
| 102 | R | 91.8 | Very high | 82.7 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.4 | 177.1 | -70.8 | 172.8 | 172.4 | 151.5 | -5.2 | 111.1 | L90 T91 K100 M150 E152 E413 | L90-R102 HydrophobicContact CB-CB 4.36Å; L90-R102 HydrophobicContact CD1-CB 4.24Å; L90-R102 PolarHBondContact N-O 3.31Å; T91-R102 HydrophobicContact CG2-CB 4.31Å; T91-R102 PolarHBondContact OG1-N 3.45Å; K100-R102 VanDerWaalsContact NZ-NH2 3.16Å; R102-M150 HydrophobicContact CB-SD 4.14Å; R102-M150 HydrophobicContact CG-SD 3.89Å; R102-E152 HydrophobicContact CG-CB 4.38Å; R102-E152 HydrophobicContact CG-CG 4.08Å; R102-E152 IonicContact CZ-OE2 2.69Å; R102-E152 IonicContact NE-OE2 3.26Å; R102-E152 PolarHBondContact NE-OE2 2.7Å; R102-E152 IonicContact NH2-OE2 3.66Å; R102-E152 PolarHBondContact NH2-OE2 3.27Å; R102-E413 IonicContact CZ-OE1 3.18Å; R102-E413 IonicContact CZ-OE2 3.94Å; R102-E413 IonicContact NH1-OE1 2.87Å; R102-E413 PolarHBondContact NH1-OE1 2.78Å; R102-E413 VanDerWaalsContact NH1-OE1 3.08Å; R102-E413 IonicContact NH1-OE2 3.24Å; R102-E413 PolarHBondContact NH1-OE2 3.45Å; R102-E413 PolarHBondContact NH2-O 3.37Å; R102-E413 IonicContact NH2-OE1 2.72Å; R102-E413 PolarHBondContact NH2-OE1 2.95Å |
| 103 | V | 94 | Very high | 81.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.5 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | A87 F88 V89 F105 V127 M150 A151 L182 I220 | A87-V103 HydrophobicContact CB-CG1 4.15Å; F88-V103 WeakPolarHBondContact O-CA 3.34Å; V89-V103 HydrophobicContact CG2-CG2 4.38Å; V103-F105 HydrophobicContact CB-CE2 3.97Å; V103-F105 HydrophobicContact CB-CZ 4.35Å; V103-F105 HydrophobicContact CG1-CD2 4.17Å; V103-F105 HydrophobicContact CG1-CE1 4.22Å; V103-F105 HydrophobicContact CG1-CE2 3.65Å; V103-F105 HydrophobicContact CG1-CZ 3.68Å; V103-V127 HydrophobicContact CG2-CG2 4.32Å; V103-M150 WeakPolarHBondContact O-CA 3.35Å; V103-A151 PolarHBondContact N-O 3.15Å; V103-A151 PolarHBondContact O-N 2.67Å; V103-L182 HydrophobicContact CG2-CD1 4.06Å; V103-I220 HydrophobicContact CG1-CD1 4.21Å |
| 104 | L | 93.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.2 | 170.3 | -178 | 69.9 | 0 | 0 | 0 | 108.8 | A87 F88 L90 T148 A383 L385 V409 V411 V417 | A87-L104 CarbonylContact C-O 3.56Å; A87-L104 WeakPolarHBondContact CA-O 3.24Å; F88-L104 HydrophobicContact CB-CB 4.5Å; F88-L104 PolarHBondContact N-O 3.35Å; F88-L104 PolarHBondContact O-N 3.35Å; L90-L104 HydrophobicContact CD1-CB 4.25Å; L90-L104 HydrophobicContact CG-CB 4.37Å; L104-T148 HydrophobicContact CD1-CG2 4.35Å; L104-A383 HydrophobicContact CD2-CB 3.62Å; L104-L385 HydrophobicContact CD2-CD2 4.21Å; L104-V409 HydrophobicContact CD2-CG2 3.91Å; L104-V411 HydrophobicContact CD1-CG2 4.35Å; L104-V411 HydrophobicContact CD2-CG2 4.13Å; L104-V417 HydrophobicContact CD1-CG2 4.02Å |
| 105 | F | 92.5 | Very high | 78.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.5 | 169.9 | -66.9 | -83.9 | 0 | 0 | 0 | 110.4 | I85 Q86 A87 V103 V125 V127 I142 T148 C149 A151 Y184 I220 | I85-F105 HydrophobicContact CG2-CD1 3.99Å; Q86-F105 VanDerWaalsContact O-CA 3.3Å; Q86-F105 WeakPolarHBondContact O-CA 3.36Å; A87-F105 HydrophobicContact CB-CD1 3.69Å; A87-F105 HydrophobicContact CB-CE1 3.47Å; A87-F105 VanDerWaalsContact CB-CE1 3.47Å; A87-F105 HydrophobicContact CB-CZ 4.33Å; V103-F105 HydrophobicContact CB-CE2 3.97Å; V103-F105 HydrophobicContact CB-CZ 4.35Å; V103-F105 HydrophobicContact CG1-CD2 4.17Å; V103-F105 HydrophobicContact CG1-CE1 4.22Å; V103-F105 HydrophobicContact CG1-CE2 3.65Å; V103-F105 HydrophobicContact CG1-CZ 3.68Å; F105-V125 HydrophobicContact CD1-CG1 3.83Å; F105-V125 HydrophobicContact CD2-CB 4.43Å; F105-V125 HydrophobicContact CD2-CG1 4Å; F105-V125 HydrophobicContact CE1-CG1 3.68Å; F105-V125 HydrophobicContact CE2-CG1 3.86Å; F105-V125 HydrophobicContact CG-CB 4.39Å; F105-V125 HydrophobicContact CG-CG1 3.98Å; F105-V125 HydrophobicContact CZ-CG1 3.69Å; F105-V127 HydrophobicContact CE2-CB 4Å; F105-V127 HydrophobicContact CZ-CB 3.92Å; F105-V127 HydrophobicContact CZ-CG2 4.15Å; F105-I142 HydrophobicContact CB-CD1 4.31Å; F105-T148 CarbonylContact O-C 3.59Å; F105-T148 VanDerWaalsContact O-CA 3.24Å; F105-T148 WeakPolarHBondContact O-CA 3.41Å; F105-C149 PolarHBondContact N-O 2.72Å; F105-C149 PolarHBondContact O-N 2.85Å; F105-A151 HydrophobicContact CD2-CB 4.34Å; F105-A151 HydrophobicContact CE2-CB 4.01Å; F105-Y184 HydrophobicContact CE1-CD1 4.17Å; F105-Y184 HydrophobicContact CE1-CD2 4.11Å; F105-Y184 AromaticContact CE1-CG 3.73Å; F105-Y184 HydrophobicContact CE1-CG 3.73Å; F105-Y184 HydrophobicContact CZ-CG 4.36Å; F105-I220 HydrophobicContact CE1-CD1 4.21Å; F105-I220 HydrophobicContact CZ-CD1 3.93Å |
| 106 | Y | 89.5 | Confident | 76.6 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.8 | 173.6 | 72.3 | -89.3 | 0 | 0 | 0 | 113 | Q86 A108 W112 G147 L385 V386 | Q86-Y106 HydrophobicContact CB-CD1 3.94Å; Q86-Y106 HydrophobicContact CB-CD2 4.29Å; Q86-Y106 HydrophobicContact CB-CE1 3.49Å; Q86-Y106 VanDerWaalsContact CB-CE1 3.49Å; Q86-Y106 HydrophobicContact CB-CE2 3.87Å; Q86-Y106 HydrophobicContact CB-CG 4.33Å; Q86-Y106 VanDerWaalsContact CB-CZ 3.47Å; Q86-Y106 HydrophobicContact CG-CE1 4.49Å; Q86-Y106 HydrophobicContact CG-CE2 4.23Å; Q86-Y106 PolarHBondContact N-O 2.63Å; Q86-Y106 PolarHBondContact O-N 2.79Å; Y106-A108 HydrophobicContact CE2-CB 4.03Å; Y106-W112 HydrophobicContact CD2-CZ2 4.13Å; Y106-G147 CarbonylContact C-O 3.5Å; Y106-G147 VanDerWaalsContact CA-O 3.28Å; Y106-G147 WeakPolarHBondContact CA-O 3.24Å; Y106-L385 HydrophobicContact CD1-CD2 3.57Å; Y106-L385 HydrophobicContact CD2-CB 4.46Å; Y106-L385 HydrophobicContact CD2-CD2 4.34Å; Y106-L385 HydrophobicContact CE1-CD2 3.77Å; Y106-L385 HydrophobicContact CE2-CB 4.25Å; Y106-L385 HydrophobicContact CG-CD2 3.86Å; Y106-V386 WeakPolarHBondContact CE2-O 3.32Å; Y106-V386 WeakPolarHBondContact OH-CG2 3.1Å; Y106-V386 PolarHBondContact OH-N 2.86Å |
| 107 | V | 85.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 97.4 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 111 | F79 W83 K84 R110 W112 L122 I142 G147 | F79-V107 HydrophobicContact CD1-CG1 3.97Å; F79-V107 HydrophobicContact CE1-CG1 3.84Å; W83-V107 HydrophobicContact CB-CG1 4.33Å; W83-V107 HydrophobicContact CD2-CG1 4.45Å; W83-V107 HydrophobicContact CE3-CG1 3.89Å; K84-V107 CarbonylContact O-C 3.5Å; V107-R110 HydrophobicContact CG1-CB 4.48Å; V107-W112 WeakPolarHBondContact O-CH2 3.4Å; V107-W112 WeakPolarHBondContact O-CZ2 3.48Å; V107-L122 HydrophobicContact CG2-CD2 4.28Å; V107-I142 HydrophobicContact CG2-CD1 4.37Å; V107-I142 HydrophobicContact CG2-CG2 3.7Å; V107-G147 PolarHBondContact N-O 2.74Å; V107-G147 VanDerWaalsContact N-O 3.08Å |
| 108 | A | 81.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | W83 K84 Q86 Y106 | W83-A108 CarbonylContact C-O 3.57Å; W83-A108 VanDerWaalsContact CA-O 3.24Å; W83-A108 WeakPolarHBondContact CA-O 3.32Å; W83-A108 WeakPolarHBondContact CB-O 3.44Å; K84-A108 HydrophobicContact CB-CB 4.49Å; K84-A108 PolarHBondContact N-O 2.97Å; K84-A108 PolarHBondContact O-N 3.04Å; Q86-A108 HydrophobicContact CG-CB 3.69Å; Y106-A108 HydrophobicContact CE2-CB 4.03Å |
| 109 | G | 72.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.7 | -11.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T80 M387 | T80-G109 VanDerWaalsContact CG2-O 3.31Å; T80-G109 WeakPolarHBondContact CG2-O 3.36Å; T80-G109 WeakPolarHBondContact OG1-CA 3.29Å; T80-G109 PolarHBondContact OG1-O 2.64Å; T80-G109 VanDerWaalsContact OG1-O 3.06Å; G109-M387 VanDerWaalsContact C-CE 3.5Å; G109-M387 PolarHBondContact N-O 2.91Å |
| 110 | R | 68.4 | Low | 71.1 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.2 | 172.2 | -163.8 | -168.5 | -159.5 | -172.9 | 7.8 | 110.7 | F79 V107 W112 D120 G144 E145 M387 | F79-R110 HydrophobicContact CD1-CB 4.01Å; F79-R110 HydrophobicContact CD1-CG 4.02Å; F79-R110 HydrophobicContact CE1-CB 3.86Å; F79-R110 HydrophobicContact CE1-CG 3.61Å; F79-R110 HydrophobicContact CZ-CG 4.32Å; V107-R110 HydrophobicContact CG1-CB 4.48Å; R110-W112 HydrophobicContact CB-CE3 4.18Å; R110-W112 HydrophobicContact CB-CH2 4Å; R110-W112 HydrophobicContact CB-CZ2 4.47Å; R110-W112 HydrophobicContact CB-CZ3 3.82Å; R110-W112 HydrophobicContact CG-CE3 4.42Å; R110-W112 HydrophobicContact CG-CZ3 4.18Å; R110-W112 PolarHBondContact O-N 3.04Å; R110-D120 IonicContact CZ-OD2 3.45Å; R110-D120 IonicContact NE-OD2 3.56Å; R110-D120 IonicContact NH2-OD2 2.68Å; R110-D120 PolarHBondContact NH2-OD2 3.11Å; R110-G144 PolarHBondContact NH1-O 3.15Å; R110-E145 PolarHBondContact NH1-O 3.38Å; R110-M387 VanDerWaalsContact O-CE 3.31Å; R110-M387 WeakPolarHBondContact O-CE 3.31Å |
| 111 | D | 65 | Low | 70.1 | Confident | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | trans | -72.6 | 98.2 | 176.4 | -171.3 | -7.2 | 0 | 0 | 0 | 111.5 | A113 R114 | D111-A113 PolarHBondContact O-N 2.78Å; D111-A113 VanDerWaalsContact O-N 3.08Å; D111-A113 WeakPolarHBondContact OD1-CB 3.23Å; D111-A113 PolarHBondContact OD1-N 2.84Å; D111-A113 VanDerWaalsContact OD1-N 3.11Å; D111-R114 PolarHBondContact O-N 2.81Å; D111-R114 VanDerWaalsContact O-N 3.17Å | ||
| 112 | W | 63.3 | Low | 69.5 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.1 | -178.2 | -51.1 | 126.5 | 0 | 0 | 0 | 114.9 | Y106 V107 R110 R114 R146 R407 | Y106-W112 HydrophobicContact CD2-CZ2 4.13Å; V107-W112 WeakPolarHBondContact O-CH2 3.4Å; V107-W112 WeakPolarHBondContact O-CZ2 3.48Å; R110-W112 HydrophobicContact CB-CE3 4.18Å; R110-W112 HydrophobicContact CB-CH2 4Å; R110-W112 HydrophobicContact CB-CZ2 4.47Å; R110-W112 HydrophobicContact CB-CZ3 3.82Å; R110-W112 HydrophobicContact CG-CE3 4.42Å; R110-W112 HydrophobicContact CG-CZ3 4.18Å; R110-W112 PolarHBondContact O-N 3.04Å; W112-R114 VanDerWaalsContact C-N 3.33Å; W112-R146 WeakPolarHBondContact CH2-O 3.3Å; W112-R146 WeakPolarHBondContact CZ3-O 2.91Å; W112-R407 PolarHBondContact O-NH1 2.83Å; W112-R407 PolarHBondContact O-NH2 2.81Å |
| 113 | A | 56.5 | Low | 69 | Low | 80 Ų | 80 | 53.9 Ų | 53.9 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D111 | D111-A113 PolarHBondContact O-N 2.78Å; D111-A113 VanDerWaalsContact O-N 3.08Å; D111-A113 WeakPolarHBondContact OD1-CB 3.23Å; D111-A113 PolarHBondContact OD1-N 2.84Å; D111-A113 VanDerWaalsContact OD1-N 3.11Å |
| 114 | R | 55.7 | Low | 68.7 | Low | 189 Ų | 189 | 54.1 Ų | 54.1 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | trans | -103.3 | 110.1 | -169.8 | -165 | 170.2 | -175.8 | 170.2 | -1.8 | 112.4 | D111 W112 | D111-R114 PolarHBondContact O-N 2.81Å; D111-R114 VanDerWaalsContact O-N 3.17Å; W112-R114 VanDerWaalsContact C-N 3.33Å | ||
| 115 | S | 48.1 | Very low | 68.5 | Low | 104 Ų | 104 | 54.1 Ų | 54.1 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | trans | -76.8 | 153.2 | 173.8 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 116 | E | 44.8 | Very low | 68.4 | Low | 194 Ų | 194 | 54.4 Ų | 54.4 | 91% | 0.907 | 32% | 0.316 | S | S | * | . | trans | 30.3 | 110.7 | 167.7 | -58.8 | -164.3 | 131.3 | 0 | 0 | 118.5 | ||||
| 117 | G | 45.8 | Very low | 68.6 | Low | 75 Ų | 75 | 54 Ų | 54 | 77% | 0.773 | 32% | 0.315 | S | S | * | . | trans | -158.8 | -20.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 118 | A | 48.5 | Very low | 69 | Low | 54 Ų | 54 | 55 Ų | 55 | 45% | 0.446 | 32% | 0.319 | S | S | . | . | trans | -161.5 | 155.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P76 D120 | P76-A118 HydrophobicContact CG-CB 4.44Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 WeakPolarHBondContact CB-OD1 3.27Å; A118-D120 PolarHBondContact O-N 3.48Å; A118-D120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | S | 54.9 | Low | 69.5 | Low | 119 Ų | 119 | 55 Ų | 55 | 83% | 0.832 | 32% | 0.319 | S | S | * | . | trans | -81.2 | 77.9 | 163 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | E121 | S119-E121 PolarHBondContact O-N 2.98Š| ||
| 120 | D | 61.3 | Low | 70.3 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | trans | -57.5 | 120 | -172.6 | -64 | -34 | 0 | 0 | 0 | 112.2 | P76 F79 R110 A118 L122 | P76-D120 VanDerWaalsContact CG-OD1 3.23Å; P76-D120 WeakPolarHBondContact CG-OD1 3.33Å; F79-D120 HydrophobicContact CE2-CB 4.16Å; F79-D120 HydrophobicContact CZ-CB 4.18Å; F79-D120 VanDerWaalsContact CZ-OD2 3.32Å; F79-D120 WeakPolarHBondContact CZ-OD2 3.39Å; R110-D120 IonicContact CZ-OD2 3.45Å; R110-D120 IonicContact NE-OD2 3.56Å; R110-D120 IonicContact NH2-OD2 2.68Å; R110-D120 PolarHBondContact NH2-OD2 3.11Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 WeakPolarHBondContact CB-OD1 3.27Å; A118-D120 PolarHBondContact O-N 3.48Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-L122 HydrophobicContact CB-CD1 3.99Å; D120-L122 HydrophobicContact CB-CD2 4.34Å; D120-L122 HydrophobicContact CB-CG 3.73Å; D120-L122 PolarHBondContact O-N 2.9Å | ||
| 121 | E | 68.3 | Low | 71.1 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | trans | -74.4 | 76.9 | 173.8 | -67.6 | -156.8 | 127.7 | 0 | 0 | 110.4 | F73 S119 | F73-E121 WeakPolarHBondContact CD1-O 3.34Å; S119-E121 PolarHBondContact O-N 2.98Å | ||
| 122 | L | 77.3 | Confident | 72 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 160.8 | -173 | -75.3 | 175.9 | 0 | 0 | 0 | 114.5 | F79 V107 D120 I142 | F79-L122 HydrophobicContact CE1-CD2 4.17Å; F79-L122 HydrophobicContact CE2-CD2 4.38Å; F79-L122 HydrophobicContact CZ-CD1 4.44Å; F79-L122 HydrophobicContact CZ-CD2 3.72Å; F79-L122 HydrophobicContact CZ-CG 4.49Å; V107-L122 HydrophobicContact CG2-CD2 4.28Å; D120-L122 HydrophobicContact CB-CD1 3.99Å; D120-L122 HydrophobicContact CB-CD2 4.34Å; D120-L122 HydrophobicContact CB-CG 3.73Å; D120-L122 PolarHBondContact O-N 2.9Å; L122-I142 HydrophobicContact CB-CB 4.11Å; L122-I142 HydrophobicContact CB-CG2 3.86Å; L122-I142 WeakPolarHBondContact CB-O 3.31Å; L122-I142 HydrophobicContact CD1-CG2 3.87Å; L122-I142 HydrophobicContact CG-CG2 4.32Å |
| 123 | P | 82.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 147.7 | -174.2 | -13.5 | 9.3 | 0 | 0 | 0 | 116.6 | F73 I85 V125 I142 A186 | F73-P123 HydrophobicContact CD2-CG 4.34Å; F73-P123 HydrophobicContact CE1-CB 4.23Å; F73-P123 HydrophobicContact CE1-CG 4.27Å; F73-P123 HydrophobicContact CE2-CB 3.88Å; F73-P123 HydrophobicContact CE2-CG 3.39Å; F73-P123 HydrophobicContact CZ-CB 3.39Å; F73-P123 VanDerWaalsContact CZ-CD 3.48Å; F73-P123 HydrophobicContact CZ-CG 3.4Å; F73-P123 VanDerWaalsContact CZ-CG 3.4Å; I85-P123 HydrophobicContact CD1-CB 4.01Å; I85-P123 HydrophobicContact CD1-CG 3.75Å; I85-P123 HydrophobicContact CG1-CG 4.38Å; P123-V125 HydrophobicContact CB-CG2 4.25Å; P123-I142 HydrophobicContact CB-CD1 4.21Å; P123-I142 HydrophobicContact CG-CD1 4.05Å; P123-I142 WeakPolarHBondContact O-CB 3.28Å; P123-I142 PolarHBondContact O-N 3.34Å; P123-A186 HydrophobicContact CB-CB 4.46Å |
| 124 | C | 86.8 | Confident | 74.3 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.2 | 152.1 | -73.6 | 0 | 0 | 0 | 0 | 108.9 | A186 R187 C194 | C124-A186 WeakPolarHBondContact O-CA 3.31Å; C124-R187 PolarHBondContact N-O 2.81Å; C124-R187 PolarHBondContact O-N 2.89Å; C124-C194 HydrophobicContact CB-CB 3.72Å; C124-C194 WeakPolarHBondContact CB-SG 3.29Å; C124-C194 WeakPolarHBondContact SG-CA 3.45Å; C124-C194 WeakPolarHBondContact SG-CB 3.38Å; C124-C194 CovalentContact SG-SG 2.03Å; C124-C194 PolarHBondContact SG-SG 2.91Å |
| 125 | V | 90.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.2 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | I85 F105 P123 S139 C140 I142 Y184 A186 | I85-V125 HydrophobicContact CD1-CG2 4.01Å; I85-V125 HydrophobicContact CG2-CG2 4.28Å; F105-V125 HydrophobicContact CD1-CG1 3.83Å; F105-V125 HydrophobicContact CD2-CB 4.43Å; F105-V125 HydrophobicContact CD2-CG1 4Å; F105-V125 HydrophobicContact CE1-CG1 3.68Å; F105-V125 HydrophobicContact CE2-CG1 3.86Å; F105-V125 HydrophobicContact CG-CB 4.39Å; F105-V125 HydrophobicContact CG-CG1 3.98Å; F105-V125 HydrophobicContact CZ-CG1 3.69Å; P123-V125 HydrophobicContact CB-CG2 4.25Å; V125-S139 CarbonylContact O-C 3.48Å; V125-S139 WeakPolarHBondContact O-CA 3.34Å; V125-C140 PolarHBondContact N-O 2.97Å; V125-C140 PolarHBondContact O-N 2.84Å; V125-I142 HydrophobicContact CG2-CD1 3.6Å; V125-I142 HydrophobicContact CG2-CG1 4.09Å; V125-Y184 HydrophobicContact CG1-CD2 3.85Å; V125-Y184 HydrophobicContact CG1-CG 4.36Å; V125-A186 HydrophobicContact CG2-CB 4.44Å |
| 126 | T | 91.1 | Very high | 78 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.8 | 167.4 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | Y128 R137 G138 S139 Y184 Q185 R187 | T126-Y128 HydrophobicContact CG2-CD2 3.93Å; T126-Y128 HydrophobicContact CG2-CE1 4.48Å; T126-Y128 HydrophobicContact CG2-CE2 3.34Å; T126-R137 HydrophobicContact CG2-CB 4.23Å; T126-G138 CarbonylContact C-O 3.46Å; T126-G138 VanDerWaalsContact CA-O 3.31Å; T126-G138 WeakPolarHBondContact CA-O 3.29Å; T126-G138 WeakPolarHBondContact CG2-O 3.47Å; T126-S139 WeakPolarHBondContact CG2-OG 3.36Å; T126-S139 PolarHBondContact OG1-OG 3.3Å; T126-Y184 CarbonylContact O-C 3.57Å; T126-Y184 WeakPolarHBondContact O-CA 3.22Å; T126-Q185 PolarHBondContact N-O 3.27Å; T126-Q185 PolarHBondContact O-N 2.9Å; T126-R187 PolarHBondContact OG1-NH1 2.99Å |
| 127 | V | 93.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141 | 170.5 | 65.2 | 0 | 0 | 0 | 0 | 109.2 | V103 F105 R137 G138 A151 L153 Y183 I220 | V103-V127 HydrophobicContact CG2-CG2 4.32Å; F105-V127 HydrophobicContact CE2-CB 4Å; F105-V127 HydrophobicContact CZ-CB 3.92Å; F105-V127 HydrophobicContact CZ-CG2 4.15Å; V127-R137 CarbonylContact O-C 3.53Å; V127-R137 VanDerWaalsContact O-CA 3.23Å; V127-R137 WeakPolarHBondContact O-CA 3.35Å; V127-R137 WeakPolarHBondContact O-CB 3.34Å; V127-G138 PolarHBondContact N-O 2.91Å; V127-G138 PolarHBondContact O-N 3.09Å; V127-A151 HydrophobicContact CG1-CB 3.6Å; V127-L153 HydrophobicContact CG1-CD1 3.89Å; V127-L153 HydrophobicContact CG1-CD2 4.1Å; V127-L153 HydrophobicContact CG1-CG 3.91Å; V127-L153 HydrophobicContact CG2-CD1 4.09Å; V127-Y183 CarbonylContact C-O 3.6Å; V127-Y183 WeakPolarHBondContact CA-O 3.47Å; V127-Y183 WeakPolarHBondContact CG2-O 3.49Å; V127-I220 HydrophobicContact CG2-CD1 3.81Å |
| 128 | Y | 92.7 | Very high | 82.3 | Confident | 21 Ų | 21 | 51 Ų | 51 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.9 | -179.9 | -68.5 | -100.4 | 0 | 0 | 0 | 108.6 | T126 F130 R137 L182 Y183 Q185 R187 M217 | T126-Y128 HydrophobicContact CG2-CD2 3.93Å; T126-Y128 HydrophobicContact CG2-CE1 4.48Å; T126-Y128 HydrophobicContact CG2-CE2 3.34Å; Y128-F130 HydrophobicContact CD1-CZ 4Å; Y128-F130 HydrophobicContact CG-CE2 4.43Å; Y128-F130 HydrophobicContact CG-CZ 4.25Å; Y128-R137 HydrophobicContact CD1-CB 3.96Å; Y128-R137 HydrophobicContact CE1-CB 4.12Å; Y128-R137 HydrophobicContact CG-CB 4.41Å; Y128-L182 WeakPolarHBondContact O-CA 3.5Å; Y128-Y183 PolarHBondContact N-O 3.24Å; Y128-Y183 PolarHBondContact O-N 3.31Å; Y128-Q185 HydrophobicContact CE2-CB 4.19Å; Y128-R187 PolarHBondContact OH-NH2 2.95Å; Y128-M217 HydrophobicContact CD1-CE 4.01Å; Y128-M217 HydrophobicContact CD2-CE 3.33Å; Y128-M217 HydrophobicContact CE1-CE 4.41Å; Y128-M217 HydrophobicContact CE2-CE 3.8Å; Y128-M217 HydrophobicContact CG-CE 3.45Å; Y128-M217 VanDerWaalsContact CG-CE 3.45Å |
| 129 | A | 92.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | E135 V136 L153 W159 V180 E181 L182 | A129-E135 WeakPolarHBondContact O-CA 3.26Å; A129-V136 PolarHBondContact N-O 2.83Å; A129-V136 PolarHBondContact O-N 2.83Å; A129-L153 HydrophobicContact CB-CD1 4.14Å; A129-W159 HydrophobicContact CB-CH2 3.92Å; A129-W159 HydrophobicContact CB-CZ3 3.77Å; A129-V180 HydrophobicContact CB-CG1 4.02Å; A129-E181 WeakPolarHBondContact CA-O 3.29Å; A129-L182 HydrophobicContact CB-CD2 3.55Å |
| 130 | F | 89.9 | Confident | 86 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 30% | 0.303 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.5 | 177.3 | -62.5 | -76.2 | 0 | 0 | 0 | 110.8 | Y128 E135 E181 Y183 M217 | Y128-F130 HydrophobicContact CD1-CZ 4Å; Y128-F130 HydrophobicContact CG-CE2 4.43Å; Y128-F130 HydrophobicContact CG-CZ 4.25Å; F130-E135 HydrophobicContact CD1-CB 3.75Å; F130-E135 HydrophobicContact CE1-CB 3.52Å; F130-E135 HydrophobicContact CZ-CB 4.5Å; F130-E181 PolarHBondContact N-O 3Å; F130-E181 PolarHBondContact O-N 2.84Å; F130-Y183 AromaticContact CD2-CD2 3.72Å; F130-Y183 HydrophobicContact CD2-CD2 3.72Å; F130-Y183 HydrophobicContact CD2-CE2 4.13Å; F130-Y183 HydrophobicContact CE2-CD2 4Å; F130-Y183 HydrophobicContact CE2-CG 4.5Å; F130-M217 HydrophobicContact CE2-CE 3.88Å; F130-M217 HydrophobicContact CE2-SD 3.83Å; F130-M217 HydrophobicContact CZ-CE 3.98Å; F130-M217 HydrophobicContact CZ-SD 4.23Å |
| 131 | W | 85.5 | Confident | 87.2 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.4 | 169.1 | -172.3 | 70.7 | 0 | 0 | 0 | 109.3 | T133 Q134 W159 V180 | W131-T133 PolarHBondContact O-N 2.81Å; W131-T133 VanDerWaalsContact O-N 3.1Å; W131-Q134 PolarHBondContact N-O 2.93Å; W131-Q134 VanDerWaalsContact N-O 3.12Å; W131-Q134 PolarHBondContact O-N 2.83Å; W131-W159 HydrophobicContact CB-CD2 3.89Å; W131-W159 HydrophobicContact CB-CE3 4.18Å; W131-W159 HydrophobicContact CB-CG 4.32Å; W131-W159 HydrophobicContact CB-CH2 4.42Å; W131-W159 HydrophobicContact CB-CZ2 4.15Å; W131-W159 HydrophobicContact CB-CZ3 4.44Å; W131-W159 HydrophobicContact CD2-CB 4.41Å; W131-W159 HydrophobicContact CD2-CG 4.13Å; W131-W159 HydrophobicContact CE3-CB 4.27Å; W131-W159 AromaticContact CE3-CD1 3.29Å; W131-W159 HydrophobicContact CE3-CD2 4.46Å; W131-W159 AromaticContact CE3-CG 3.77Å; W131-W159 HydrophobicContact CE3-CG 3.77Å; W131-W159 AromaticContact CE3-NE1 3.76Å; W131-W159 HydrophobicContact CG-CD2 4.45Å; W131-W159 HydrophobicContact CG-CG 4.4Å; W131-W159 AromaticContact CZ3-CD1 3.78Å; W131-W159 HydrophobicContact CZ3-CG 4.39Å; W131-V180 HydrophobicContact CB-CG2 4.17Å; W131-V180 HydrophobicContact CG-CG2 4.18Å |
| 132 | Q | 82.6 | Confident | 88 | Confident | 151 Ų | 151 | 41.2 Ų | 41.2 | 71% | 0.706 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -112.3 | -170.5 | -56.4 | -179.3 | -12.7 | 0 | 0 | 111.5 | ||
| 133 | T | 82.4 | Confident | 88.1 | Confident | 142 Ų | 142 | 41.8 Ų | 41.8 | 87% | 0.871 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104 | 4.5 | 179.1 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | W131 | W131-T133 PolarHBondContact O-N 2.81Å; W131-T133 VanDerWaalsContact O-N 3.1Å |
| 134 | Q | 86.2 | Confident | 87.7 | Confident | 86 Ų | 86 | 44.8 Ų | 44.8 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.9 | -176.7 | -59 | -175.4 | 4 | 0 | 0 | 110.9 | W131 W159 | W131-Q134 PolarHBondContact N-O 2.93Å; W131-Q134 VanDerWaalsContact N-O 3.12Å; W131-Q134 PolarHBondContact O-N 2.83Å; Q134-W159 HydrophobicContact CB-CZ2 3.99Å |
| 135 | E | 89.4 | Confident | 86.9 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 142.7 | 164.4 | 86.8 | 167.1 | -140.9 | 0 | 0 | 110.6 | A129 F130 R137 | A129-E135 WeakPolarHBondContact O-CA 3.26Å; F130-E135 HydrophobicContact CD1-CB 3.75Å; F130-E135 HydrophobicContact CE1-CB 3.52Å; F130-E135 HydrophobicContact CZ-CB 4.5Å; E135-R137 WeakPolarHBondContact OE1-CD 3.47Å; E135-R137 IonicContact OE1-CZ 3.15Å; E135-R137 IonicContact OE1-NE 2.69Å; E135-R137 IonicContact OE1-NH1 2.73Å; E135-R137 PolarHBondContact OE1-NH1 3.42Å |
| 136 | V | 91.8 | Very high | 86 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138 | 158.7 | 173.1 | 0 | 0 | 0 | 0 | 107.1 | A129 L153 L154 W159 | A129-V136 PolarHBondContact N-O 2.83Å; A129-V136 PolarHBondContact O-N 2.83Å; V136-L153 HydrophobicContact CG1-CB 4.39Å; V136-L153 HydrophobicContact CG1-CD2 3.91Å; V136-L153 WeakPolarHBondContact O-CD2 3.21Å; V136-L154 WeakPolarHBondContact CG1-O 3.38Å; V136-W159 HydrophobicContact CB-CH2 3.74Å; V136-W159 HydrophobicContact CB-CZ2 4.24Å; V136-W159 HydrophobicContact CB-CZ3 4.46Å; V136-W159 HydrophobicContact CG2-CH2 3.61Å; V136-W159 HydrophobicContact CG2-CZ2 3.61Å; V136-W159 HydrophobicContact CG2-CZ3 4.43Å |
| 137 | R | 91.6 | Very high | 85.6 | Confident | 108 Ų | 108 | 54.4 Ų | 54.4 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.4 | -176.9 | 64.1 | 176.7 | -178.4 | -122.6 | 4.1 | 113.1 | T126 V127 Y128 E135 L153 V197 | T126-R137 HydrophobicContact CG2-CB 4.23Å; V127-R137 CarbonylContact O-C 3.53Å; V127-R137 VanDerWaalsContact O-CA 3.23Å; V127-R137 WeakPolarHBondContact O-CA 3.35Å; V127-R137 WeakPolarHBondContact O-CB 3.34Å; Y128-R137 HydrophobicContact CD1-CB 3.96Å; Y128-R137 HydrophobicContact CE1-CB 4.12Å; Y128-R137 HydrophobicContact CG-CB 4.41Å; E135-R137 WeakPolarHBondContact OE1-CD 3.47Å; E135-R137 IonicContact OE1-CZ 3.15Å; E135-R137 IonicContact OE1-NE 2.69Å; E135-R137 IonicContact OE1-NH1 2.73Å; E135-R137 PolarHBondContact OE1-NH1 3.42Å; R137-L153 VanDerWaalsContact C-CD2 3.47Å; R137-V197 PolarHBondContact NH2-O 3Å |
| 138 | G | 90.6 | Very high | 85.3 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T126 V127 L153 | T126-G138 CarbonylContact C-O 3.46Å; T126-G138 VanDerWaalsContact CA-O 3.31Å; T126-G138 WeakPolarHBondContact CA-O 3.29Å; T126-G138 WeakPolarHBondContact CG2-O 3.47Å; V127-G138 PolarHBondContact N-O 2.91Å; V127-G138 PolarHBondContact O-N 3.09Å; G138-L153 VanDerWaalsContact N-CD2 3.34Å |
| 139 | S | 90.3 | Very high | 85.2 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143 | 179.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | V125 T126 | V125-S139 CarbonylContact O-C 3.48Å; V125-S139 WeakPolarHBondContact O-CA 3.34Å; T126-S139 WeakPolarHBondContact CG2-OG 3.36Å; T126-S139 PolarHBondContact OG1-OG 3.3Å |
| 140 | C | 89.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 9% | 0.088 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.7 | 172.8 | 67.4 | 0 | 0 | 0 | 0 | 112 | V125 C149 M150 A151 | V125-C140 PolarHBondContact N-O 2.97Å; V125-C140 PolarHBondContact O-N 2.84Å; C140-C149 HydrophobicContact CB-CB 3.54Å; C140-C149 WeakPolarHBondContact CB-SG 3.47Å; C140-C149 WeakPolarHBondContact SG-CB 3.29Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 3.04Å; C140-M150 VanDerWaalsContact CB-O 3.28Å; C140-M150 WeakPolarHBondContact CB-O 3.33Å; C140-A151 HydrophobicContact CB-CB 4.34Å |
| 141 | A | 86.4 | Confident | 85.2 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | C149 C194 | A141-C149 VanDerWaalsContact C-SG 3.58Å; A141-C149 WeakPolarHBondContact O-CB 3.31Å; A141-C194 VanDerWaalsContact CA-SG 3.57Å; A141-C194 VanDerWaalsContact CB-SG 3.51Å |
| 142 | I | 85.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -63.9 | 135.8 | 171.7 | -69.4 | -175 | 0 | 0 | 0 | 108.4 | I85 F105 V107 L122 P123 V125 G147 C149 | I85-I142 HydrophobicContact CD1-CD1 4.44Å; I85-I142 HydrophobicContact CG2-CD1 4.22Å; F105-I142 HydrophobicContact CB-CD1 4.31Å; V107-I142 HydrophobicContact CG2-CD1 4.37Å; V107-I142 HydrophobicContact CG2-CG2 3.7Å; L122-I142 HydrophobicContact CB-CB 4.11Å; L122-I142 HydrophobicContact CB-CG2 3.86Å; L122-I142 WeakPolarHBondContact CB-O 3.31Å; L122-I142 HydrophobicContact CD1-CG2 3.87Å; L122-I142 HydrophobicContact CG-CG2 4.32Å; P123-I142 HydrophobicContact CB-CD1 4.21Å; P123-I142 HydrophobicContact CG-CD1 4.05Å; P123-I142 WeakPolarHBondContact O-CB 3.28Å; P123-I142 PolarHBondContact O-N 3.34Å; V125-I142 HydrophobicContact CG2-CD1 3.6Å; V125-I142 HydrophobicContact CG2-CG1 4.09Å; I142-G147 WeakPolarHBondContact CG2-O 3.12Å; I142-C149 HydrophobicContact CG1-CB 4.41Å; I142-C149 VanDerWaalsContact CG1-SG 3.5Å | ||
| 143 | G | 79.6 | Confident | 86 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -173.8 | -172.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G147 T148 | G143-G147 WeakPolarHBondContact O-CA 3.29Å; G143-G147 PolarHBondContact O-N 3.47Å; G143-T148 PolarHBondContact N-O 3.47Å; G143-T148 PolarHBondContact O-N 2.9Å; G143-T148 VanDerWaalsContact O-N 3.07Å |
| 144 | G | 74.7 | Confident | 86.4 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 65% | 0.649 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R110 R146 G147 | R110-G144 PolarHBondContact NH1-O 3.15Å; G144-R146 PolarHBondContact O-N 3.44Å; G144-G147 PolarHBondContact O-N 3.1Å |
| 145 | E | 68.3 | Low | 86.5 | Confident | 162 Ų | 162 | 42.2 Ų | 42.2 | 76% | 0.757 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31 | 175.9 | -58.7 | 174.7 | 167.2 | 0 | 0 | 112.9 | R110 | R110-E145 PolarHBondContact NH1-O 3.38Š|
| 146 | R | 72.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -0.2 | -175.7 | -65.8 | 168 | -173.4 | -91 | -13.9 | 113.7 | W112 G144 T148 D419 | W112-R146 WeakPolarHBondContact CH2-O 3.3Å; W112-R146 WeakPolarHBondContact CZ3-O 2.91Å; G144-R146 PolarHBondContact O-N 3.44Å; R146-T148 HydrophobicContact CB-CG2 4.08Å; R146-T148 WeakPolarHBondContact O-CG2 3.43Å; R146-T148 PolarHBondContact O-N 3.3Å; R146-T148 VanDerWaalsContact O-N 3.16Å; R146-D419 IonicContact CZ-OD2 2.7Å; R146-D419 VanDerWaalsContact NH1-CG 3.28Å; R146-D419 IonicContact NH1-OD2 3Å; R146-D419 PolarHBondContact NH1-OD2 2.97Å; R146-D419 IonicContact NH2-OD2 2.69Å; R146-D419 PolarHBondContact NH2-OD2 2.97Å |
| 147 | G | 81.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Y106 V107 I142 G143 G144 | Y106-G147 CarbonylContact C-O 3.5Å; Y106-G147 VanDerWaalsContact CA-O 3.28Å; Y106-G147 WeakPolarHBondContact CA-O 3.24Å; V107-G147 PolarHBondContact N-O 2.74Å; V107-G147 VanDerWaalsContact N-O 3.08Å; I142-G147 WeakPolarHBondContact CG2-O 3.12Å; G143-G147 WeakPolarHBondContact O-CA 3.29Å; G143-G147 PolarHBondContact O-N 3.47Å; G144-G147 PolarHBondContact O-N 3.1Å |
| 148 | T | 88.3 | Confident | 85.7 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152.4 | -170.7 | 39.5 | 0 | 0 | 0 | 0 | 111 | L104 F105 G143 R146 L385 | L104-T148 HydrophobicContact CD1-CG2 4.35Å; F105-T148 CarbonylContact O-C 3.59Å; F105-T148 VanDerWaalsContact O-CA 3.24Å; F105-T148 WeakPolarHBondContact O-CA 3.41Å; G143-T148 PolarHBondContact N-O 3.47Å; G143-T148 PolarHBondContact O-N 2.9Å; G143-T148 VanDerWaalsContact O-N 3.07Å; R146-T148 HydrophobicContact CB-CG2 4.08Å; R146-T148 WeakPolarHBondContact O-CG2 3.43Å; R146-T148 PolarHBondContact O-N 3.3Å; R146-T148 VanDerWaalsContact O-N 3.16Å; T148-L385 HydrophobicContact CG2-CD1 4.4Å |
| 149 | C | 90 | Very high | 85.5 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.081 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.7 | 156.8 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | F105 C140 A141 I142 | F105-C149 PolarHBondContact N-O 2.72Å; F105-C149 PolarHBondContact O-N 2.85Å; C140-C149 HydrophobicContact CB-CB 3.54Å; C140-C149 WeakPolarHBondContact CB-SG 3.47Å; C140-C149 WeakPolarHBondContact SG-CB 3.29Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 3.04Å; A141-C149 VanDerWaalsContact C-SG 3.58Å; A141-C149 WeakPolarHBondContact O-CB 3.31Å; I142-C149 HydrophobicContact CG1-CB 4.41Å; I142-C149 VanDerWaalsContact CG1-SG 3.5Å |
| 150 | M | 91.5 | Very high | 85.2 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.9 | 175.1 | -170.8 | -80.2 | -70.2 | 0 | 0 | 109.5 | L90 R102 V103 C140 E152 V411 | L90-M150 HydrophobicContact CD1-CG 4.44Å; R102-M150 HydrophobicContact CB-SD 4.14Å; R102-M150 HydrophobicContact CG-SD 3.89Å; V103-M150 WeakPolarHBondContact O-CA 3.35Å; C140-M150 VanDerWaalsContact CB-O 3.28Å; C140-M150 WeakPolarHBondContact CB-O 3.33Å; M150-E152 HydrophobicContact CE-CB 4.47Å; M150-E152 HydrophobicContact SD-CB 4.09Å; M150-V411 HydrophobicContact CG-CG1 4.32Å |
| 151 | A | 91.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V103 F105 V127 C140 | V103-A151 PolarHBondContact N-O 3.15Å; V103-A151 PolarHBondContact O-N 2.67Å; F105-A151 HydrophobicContact CD2-CB 4.34Å; F105-A151 HydrophobicContact CE2-CB 4.01Å; V127-A151 HydrophobicContact CG1-CB 3.6Å; C140-A151 HydrophobicContact CB-CB 4.34Å |
| 152 | E | 91.6 | Very high | 83.7 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.2 | 175 | -169.3 | 172.7 | 109.7 | 0 | 0 | 110.5 | K100 V101 R102 M150 | K100-E152 HydrophobicContact CD-CG 4.44Å; K100-E152 WeakPolarHBondContact CD-OE1 3.33Å; K100-E152 WeakPolarHBondContact CE-OE1 3.34Å; K100-E152 IonicContact NZ-OE1 2.7Å; K100-E152 PolarHBondContact NZ-OE1 3.48Å; K100-E152 IonicContact NZ-OE2 3.83Å; K100-E152 PolarHBondContact NZ-OE2 3.02Å; V101-E152 WeakPolarHBondContact O-CA 3.39Å; R102-E152 HydrophobicContact CG-CB 4.38Å; R102-E152 HydrophobicContact CG-CG 4.08Å; R102-E152 IonicContact CZ-OE2 2.69Å; R102-E152 IonicContact NE-OE2 3.26Å; R102-E152 PolarHBondContact NE-OE2 2.7Å; R102-E152 IonicContact NH2-OE2 3.66Å; R102-E152 PolarHBondContact NH2-OE2 3.27Å; M150-E152 HydrophobicContact CE-CB 4.47Å; M150-E152 HydrophobicContact SD-CB 4.09Å |
| 153 | L | 91.5 | Very high | 82.4 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136 | 173.3 | -68.3 | 153.2 | 0 | 0 | 0 | 109 | K100 V101 V127 A129 V136 R137 G138 P155 L182 | K100-L153 WeakPolarHBondContact CA-O 3.47Å; V101-L153 HydrophobicContact CB-CB 4.05Å; V101-L153 HydrophobicContact CB-CD1 4.07Å; V101-L153 HydrophobicContact CG1-CD1 4.49Å; V101-L153 HydrophobicContact CG2-CB 4.3Å; V101-L153 PolarHBondContact N-O 3Å; V101-L153 PolarHBondContact O-N 3.07Å; V127-L153 HydrophobicContact CG1-CD1 3.89Å; V127-L153 HydrophobicContact CG1-CD2 4.1Å; V127-L153 HydrophobicContact CG1-CG 3.91Å; V127-L153 HydrophobicContact CG2-CD1 4.09Å; A129-L153 HydrophobicContact CB-CD1 4.14Å; V136-L153 HydrophobicContact CG1-CB 4.39Å; V136-L153 HydrophobicContact CG1-CD2 3.91Å; V136-L153 WeakPolarHBondContact O-CD2 3.21Å; R137-L153 VanDerWaalsContact C-CD2 3.47Å; G138-L153 VanDerWaalsContact N-CD2 3.34Å; L153-P155 WeakPolarHBondContact O-CD 3.4Å; L153-L182 HydrophobicContact CD1-CD2 4.11Å |
| 154 | L | 91.5 | Very high | 80.6 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 59% | 0.586 | 33% | 0.332 | S | S | * | . | trans | -106.7 | 87.9 | 173.8 | -67.8 | 172.6 | 0 | 0 | 0 | 109.2 | K100 V136 | K100-L154 HydrophobicContact CG-CD2 3.99Å; V136-L154 WeakPolarHBondContact CG1-O 3.38Å | ||
| 155 | P | 89.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | trans | -67.8 | 146.2 | -179.6 | 28.6 | -37.1 | 0 | 0 | 0 | 112.5 | P99 V101 L153 W159 F160 F225 | P99-P155 HydrophobicContact CB-CG 4.38Å; V101-P155 HydrophobicContact CG2-CG 4.34Å; L153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-W159 HydrophobicContact CB-CD2 4.07Å; P155-W159 HydrophobicContact CB-CE3 3.46Å; P155-W159 VanDerWaalsContact CB-CE3 3.46Å; P155-W159 HydrophobicContact CB-CZ3 3.86Å; P155-F160 HydrophobicContact CB-CE2 4.45Å; P155-F160 HydrophobicContact CG-CE2 4.04Å; P155-F160 HydrophobicContact CG-CZ 4Å; P155-F225 HydrophobicContact CB-CE1 3.45Å; P155-F225 VanDerWaalsContact CB-CE1 3.45Å; P155-F225 HydrophobicContact CB-CZ 3.77Å; P155-F225 HydrophobicContact CG-CE1 3.46Å; P155-F225 VanDerWaalsContact CG-CE1 3.46Å; P155-F225 HydrophobicContact CG-CZ 3.78Å | ||
| 156 | E | 88.1 | Confident | 78 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | trans | -64.6 | 144.8 | -178.7 | -74.6 | -64.5 | 159.6 | 0 | 0 | 112.5 | G158 W159 | E156-G158 PolarHBondContact O-N 3.07Å; E156-W159 WeakPolarHBondContact O-CB 3.27Å; E156-W159 PolarHBondContact O-N 2.95Å | ||
| 157 | P | 84.8 | Confident | 76.5 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -56.6 | -26.9 | -178.5 | -27 | 35.9 | 0 | 0 | 0 | 114.6 | W159 F160 | P157-W159 VanDerWaalsContact C-N 3.27Å; P157-W159 PolarHBondContact O-N 3.23Å; P157-F160 PolarHBondContact O-N 3.05Å |
| 158 | G | 82.9 | Confident | 74.5 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E156 F160 A161 | E156-G158 PolarHBondContact O-N 3.07Å; G158-F160 PolarHBondContact O-N 3.21Å; G158-F160 VanDerWaalsContact O-N 3.15Å; G158-A161 WeakPolarHBondContact O-CB 3.49Å; G158-A161 PolarHBondContact O-N 2.62Å |
| 159 | W | 86.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -68.3 | -15.1 | -178.9 | -63.6 | 16.1 | 0 | 0 | 0 | 112.6 | A129 W131 Q134 V136 P155 E156 P157 N178 V180 F225 | A129-W159 HydrophobicContact CB-CH2 3.92Å; A129-W159 HydrophobicContact CB-CZ3 3.77Å; W131-W159 HydrophobicContact CB-CD2 3.89Å; W131-W159 HydrophobicContact CB-CE3 4.18Å; W131-W159 HydrophobicContact CB-CG 4.32Å; W131-W159 HydrophobicContact CB-CH2 4.42Å; W131-W159 HydrophobicContact CB-CZ2 4.15Å; W131-W159 HydrophobicContact CB-CZ3 4.44Å; W131-W159 HydrophobicContact CD2-CB 4.41Å; W131-W159 HydrophobicContact CD2-CG 4.13Å; W131-W159 HydrophobicContact CE3-CB 4.27Å; W131-W159 AromaticContact CE3-CD1 3.29Å; W131-W159 HydrophobicContact CE3-CD2 4.46Å; W131-W159 AromaticContact CE3-CG 3.77Å; W131-W159 HydrophobicContact CE3-CG 3.77Å; W131-W159 AromaticContact CE3-NE1 3.76Å; W131-W159 HydrophobicContact CG-CD2 4.45Å; W131-W159 HydrophobicContact CG-CG 4.4Å; W131-W159 AromaticContact CZ3-CD1 3.78Å; W131-W159 HydrophobicContact CZ3-CG 4.39Å; Q134-W159 HydrophobicContact CB-CZ2 3.99Å; V136-W159 HydrophobicContact CB-CH2 3.74Å; V136-W159 HydrophobicContact CB-CZ2 4.24Å; V136-W159 HydrophobicContact CB-CZ3 4.46Å; V136-W159 HydrophobicContact CG2-CH2 3.61Å; V136-W159 HydrophobicContact CG2-CZ2 3.61Å; V136-W159 HydrophobicContact CG2-CZ3 4.43Å; P155-W159 HydrophobicContact CB-CD2 4.07Å; P155-W159 HydrophobicContact CB-CE3 3.46Å; P155-W159 VanDerWaalsContact CB-CE3 3.46Å; P155-W159 HydrophobicContact CB-CZ3 3.86Å; E156-W159 WeakPolarHBondContact O-CB 3.27Å; E156-W159 PolarHBondContact O-N 2.95Å; P157-W159 VanDerWaalsContact C-N 3.27Å; P157-W159 PolarHBondContact O-N 3.23Å; W159-N178 PolarHBondContact O-ND2 3.15Å; W159-V180 HydrophobicContact CE3-CG1 4.1Å; W159-V180 HydrophobicContact CE3-CG2 4.12Å; W159-V180 HydrophobicContact CZ3-CG1 3.75Å; W159-F225 HydrophobicContact CB-CD1 4.04Å; W159-F225 HydrophobicContact CB-CE1 4.23Å; W159-F225 AromaticContact CE3-CE1 3.99Å; W159-F225 HydrophobicContact CE3-CE1 3.99Å; W159-F225 HydrophobicContact CE3-CZ 4.05Å |
| 160 | F | 84.6 | Confident | 70.1 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 4% | 0.035 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -95.2 | 1.3 | 175.1 | -59.1 | -88.2 | 0 | 0 | 0 | 113.4 | V94 P99 P155 P157 G158 F225 Q227 | V94-F160 HydrophobicContact CG1-CE1 4Å; V94-F160 HydrophobicContact CG1-CZ 3.91Å; P99-F160 HydrophobicContact CB-CE2 3.55Å; P99-F160 HydrophobicContact CB-CZ 3.56Å; P155-F160 HydrophobicContact CB-CE2 4.45Å; P155-F160 HydrophobicContact CG-CE2 4.04Å; P155-F160 HydrophobicContact CG-CZ 4Å; P157-F160 PolarHBondContact O-N 3.05Å; G158-F160 PolarHBondContact O-N 3.21Å; G158-F160 VanDerWaalsContact O-N 3.15Å; F160-F225 HydrophobicContact CD1-CB 4.32Å; F160-F225 AromaticContact CD1-CD1 3.81Å; F160-F225 HydrophobicContact CD1-CD1 3.81Å; F160-F225 HydrophobicContact CD2-CD1 4.27Å; F160-F225 HydrophobicContact CE1-CB 4.38Å; F160-F225 AromaticContact CE1-CD1 3.36Å; F160-F225 HydrophobicContact CE1-CD1 3.36Å; F160-F225 AromaticContact CE1-CE1 3.87Å; F160-F225 HydrophobicContact CE1-CE1 3.87Å; F160-F225 HydrophobicContact CE1-CG 4.16Å; F160-F225 AromaticContact CE2-CD1 3.87Å; F160-F225 HydrophobicContact CE2-CD1 3.87Å; F160-F225 AromaticContact CE2-CE1 3.88Å; F160-F225 HydrophobicContact CE2-CE1 3.88Å; F160-F225 HydrophobicContact CG-CD1 4.25Å; F160-F225 AromaticContact CZ-CD1 3.39Å; F160-F225 HydrophobicContact CZ-CD1 3.39Å; F160-F225 AromaticContact CZ-CE1 3.43Å; F160-F225 HydrophobicContact CZ-CE1 3.43Å; F160-F225 VanDerWaalsContact CZ-CE1 3.43Å; F160-Q227 WeakPolarHBondContact O-CB 3.02Å; F160-Q227 WeakPolarHBondContact O-CG 3.48Å; F160-Q227 PolarHBondContact O-OE1 3.32Å |
| 161 | A | 78.2 | Confident | 67.5 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -73.5 | 129.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G158 G163 N178 | G158-A161 WeakPolarHBondContact O-CB 3.49Å; G158-A161 PolarHBondContact O-N 2.62Å; A161-G163 PolarHBondContact O-N 2.81Å; A161-N178 PolarHBondContact O-ND2 2.78Å |
| 162 | A | 65.4 | Low | 65.1 | Low | 79 Ų | 79 | 97.4 Ų | 97.4 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | trans | -55.9 | 126.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S164 | A162-S164 PolarHBondContact O-N 3.27Š| ||
| 163 | G | 57.1 | Low | 62.7 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 66% | 0.66 | 57% | 0.566 | S | S | * | * | trans | -60.5 | 108.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A161 | A161-G163 PolarHBondContact O-N 2.81Š| ||
| 164 | S | 43.4 | Very low | 60.5 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | trans | -75 | 150 | 153.3 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | A162 | A162-S164 PolarHBondContact O-N 3.27Š| ||
| 165 | E | 46.1 | Very low | 58.5 | Low | 185 Ų | 185 | 104.4 Ų | 104.4 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | 70.2 | 69.2 | 173.5 | -52.2 | -169 | 171.9 | 0 | 0 | 116.7 | ||||
| 166 | G | 41.7 | Very low | 57.1 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | trans | -112.6 | 113.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G168 | G166-G168 PolarHBondContact O-N 2.86Š| ||
| 167 | T | 41.3 | Very low | 56.4 | Low | 161 Ų | 161 | 102.3 Ų | 102.3 | 99% | 0.988 | 61% | 0.61 | S | S | * | * | trans | -80.3 | 52.8 | -179.9 | 41.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | G | 40.2 | Very low | 56.3 | Low | 57 Ų | 57 | 98.5 Ų | 98.5 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -135.6 | 142.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G166 E170 | G166-G168 PolarHBondContact O-N 2.86Å; G168-E170 PolarHBondContact O-N 2.98Å |
| 169 | R | 43.1 | Very low | 56.4 | Low | 269 Ų | 269 | 99.9 Ų | 99.9 | 100% | 1.015 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -82.4 | 63.2 | 178.3 | -78.3 | -175.6 | 171.7 | 169.6 | -2.4 | 112.1 | ||
| 170 | E | 41.8 | Very low | 56.6 | Low | 161 Ų | 161 | 99.9 Ų | 99.9 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | trans | -133.3 | 114.6 | 168.7 | -167.6 | 152.1 | -138 | 0 | 0 | 110 | G168 Q172 | G168-E170 PolarHBondContact O-N 2.98Å; E170-Q172 VanDerWaalsContact C-N 3.29Å; E170-Q172 PolarHBondContact O-N 2.9Å | ||
| 171 | R | 38 | Very low | 56.9 | Low | 253 Ų | 253 | 102 Ų | 102 | 96% | 0.955 | 60% | 0.597 | S | S | * | * | trans | -78.3 | 81.7 | 176.6 | -76.2 | -178.8 | 173.7 | 168 | -3.1 | 108.8 | D173 | R171-D173 PolarHBondContact O-N 3.47Š| ||
| 172 | Q | 40.9 | Very low | 57.7 | Low | 154 Ų | 154 | 99.9 Ų | 99.9 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | trans | -58.5 | 133.6 | 165.8 | -71.1 | -173.3 | -11.6 | 0 | 0 | 109.4 | E170 | E170-Q172 VanDerWaalsContact C-N 3.29Å; E170-Q172 PolarHBondContact O-N 2.9Å | ||
| 173 | D | 40.2 | Very low | 59 | Low | 109 Ų | 109 | 99.5 Ų | 99.5 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | trans | -67.8 | 131.5 | -177.1 | -167.3 | 52.2 | 0 | 0 | 0 | 109.2 | R171 S175 A176 | R171-D173 PolarHBondContact O-N 3.47Å; D173-S175 PolarHBondContact O-N 2.82Å; D173-S175 WeakPolarHBondContact OD2-CB 3.33Å; D173-S175 PolarHBondContact OD2-OG 2.77Å; D173-A176 WeakPolarHBondContact O-CB 3.49Å; D173-A176 PolarHBondContact O-N 2.88Å | ||
| 174 | P | 45.6 | Very low | 60.7 | Low | 133 Ų | 133 | 97.2 Ų | 97.2 | 86% | 0.864 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 5.7 | -175 | 26.3 | -35.7 | 0 | 0 | 0 | 114.5 | ||
| 175 | S | 50.9 | Low | 63 | Low | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17.2 | 168.3 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | D173 L226 | D173-S175 PolarHBondContact O-N 2.82Å; D173-S175 WeakPolarHBondContact OD2-CB 3.33Å; D173-S175 PolarHBondContact OD2-OG 2.77Å; S175-L226 WeakPolarHBondContact O-CD2 3.34Å |
| 176 | A | 58.7 | Low | 64.9 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -75 | -33.6 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | D173 | D173-A176 WeakPolarHBondContact O-CB 3.49Å; D173-A176 PolarHBondContact O-N 2.88Å |
| 177 | G | 72.6 | Confident | 66.8 | Low | 33 Ų | 33 | 84.5 Ų | 84.5 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | trans | 73.2 | -177.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F225 | G177-F225 CarbonylContact C-O 3.51Å; G177-F225 VanDerWaalsContact CA-O 3.22Å; G177-F225 WeakPolarHBondContact CA-O 3.29Å | ||
| 178 | N | 83 | Confident | 68.5 | Low | 24 Ų | 24 | 78.2 Ų | 78.2 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136.3 | 174.8 | -65.5 | -24.6 | 0 | 0 | 0 | 109.8 | W159 A161 F225 | W159-N178 PolarHBondContact O-ND2 3.15Å; A161-N178 PolarHBondContact O-ND2 2.78Å; N178-F225 HydrophobicContact CB-CB 4.11Å; N178-F225 PolarHBondContact N-O 2.93Å; N178-F225 WeakPolarHBondContact O-CB 3.34Å; N178-F225 PolarHBondContact O-N 3.25Å |
| 179 | S | 86.5 | Confident | 70.1 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 49% | 0.49 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.6 | 171 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | S222 | S179-S222 WeakPolarHBondContact OG-CB 3.36Å |
| 180 | V | 89.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.2 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 109 | A129 W131 W159 S222 V223 F225 | A129-V180 HydrophobicContact CB-CG1 4.02Å; W131-V180 HydrophobicContact CB-CG2 4.17Å; W131-V180 HydrophobicContact CG-CG2 4.18Å; W159-V180 HydrophobicContact CE3-CG1 4.1Å; W159-V180 HydrophobicContact CE3-CG2 4.12Å; W159-V180 HydrophobicContact CZ3-CG1 3.75Å; V180-S222 CarbonylContact O-C 3.54Å; V180-S222 VanDerWaalsContact O-CA 3.23Å; V180-S222 WeakPolarHBondContact O-CA 3.42Å; V180-V223 PolarHBondContact N-O 2.9Å; V180-V223 PolarHBondContact O-N 2.81Å; V180-F225 HydrophobicContact CB-CD2 3.77Å; V180-F225 HydrophobicContact CB-CE2 3.62Å; V180-F225 HydrophobicContact CB-CZ 4.42Å; V180-F225 HydrophobicContact CG1-CE2 4.12Å; V180-F225 HydrophobicContact CG2-CD1 4.37Å; V180-F225 HydrophobicContact CG2-CD2 3.35Å; V180-F225 HydrophobicContact CG2-CE2 3.53Å; V180-F225 HydrophobicContact CG2-CG 3.83Å; V180-F225 HydrophobicContact CG2-CZ 4.13Å |
| 181 | E | 91.7 | Very high | 72.2 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.4 | -176 | -74.5 | -70.3 | 149.3 | 0 | 0 | 111.4 | A129 F130 Y183 R219 S222 | A129-E181 WeakPolarHBondContact CA-O 3.29Å; F130-E181 PolarHBondContact N-O 3Å; F130-E181 PolarHBondContact O-N 2.84Å; E181-Y183 HydrophobicContact CB-CE2 3.84Å; E181-R219 VanDerWaalsContact CD-NH2 3.27Å; E181-R219 IonicContact OE1-CZ 3.08Å; E181-R219 IonicContact OE1-NE 3.66Å; E181-R219 IonicContact OE1-NH2 2.63Å; E181-R219 PolarHBondContact OE1-NH2 2.98Å; E181-R219 IonicContact OE2-CZ 2.67Å; E181-R219 IonicContact OE2-NE 2.76Å; E181-R219 PolarHBondContact OE2-NE 3.47Å; E181-R219 IonicContact OE2-NH2 3.08Å; E181-R219 PolarHBondContact OE2-NH2 3.1Å; E181-S222 WeakPolarHBondContact OE1-CB 3.2Å |
| 182 | L | 93.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.5 | -179 | -62.5 | -173.5 | 0 | 0 | 0 | 112 | V89 V101 V103 Y128 A129 L153 I220 G221 V223 | V89-L182 HydrophobicContact CG1-CD1 4.46Å; V89-L182 HydrophobicContact CG2-CD1 4.11Å; V101-L182 HydrophobicContact CG1-CD1 4.11Å; V103-L182 HydrophobicContact CG2-CD1 4.06Å; Y128-L182 WeakPolarHBondContact O-CA 3.5Å; A129-L182 HydrophobicContact CB-CD2 3.55Å; L153-L182 HydrophobicContact CD1-CD2 4.11Å; L182-I220 HydrophobicContact CB-CB 4.1Å; L182-I220 HydrophobicContact CB-CD1 4.19Å; L182-I220 PolarHBondContact O-N 2.86Å; L182-G221 PolarHBondContact N-O 2.88Å; L182-V223 HydrophobicContact CD1-CG2 3.61Å; L182-V223 HydrophobicContact CG-CG2 4.16Å |
| 183 | Y | 94.1 | Very high | 74.5 | Confident | 70 Ų | 70 | 60 Ų | 60 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 158.5 | 176.1 | -63.6 | -100.7 | 0 | 0 | 0 | 110.7 | V127 Y128 F130 E181 M217 Q218 R219 | V127-Y183 CarbonylContact C-O 3.6Å; V127-Y183 WeakPolarHBondContact CA-O 3.47Å; V127-Y183 WeakPolarHBondContact CG2-O 3.49Å; Y128-Y183 PolarHBondContact N-O 3.24Å; Y128-Y183 PolarHBondContact O-N 3.31Å; F130-Y183 AromaticContact CD2-CD2 3.72Å; F130-Y183 HydrophobicContact CD2-CD2 3.72Å; F130-Y183 HydrophobicContact CD2-CE2 4.13Å; F130-Y183 HydrophobicContact CE2-CD2 4Å; F130-Y183 HydrophobicContact CE2-CG 4.5Å; E181-Y183 HydrophobicContact CB-CE2 3.84Å; Y183-M217 HydrophobicContact CD1-CG 3.83Å; Y183-M217 HydrophobicContact CD1-SD 4.23Å; Y183-M217 HydrophobicContact CG-CG 3.97Å; Y183-M217 HydrophobicContact CG-SD 4.01Å; Y183-Q218 CarbonylContact C-O 3.56Å; Y183-Q218 WeakPolarHBondContact CA-O 3.41Å; Y183-Q218 WeakPolarHBondContact CB-O 3.44Å; Y183-R219 VanDerWaalsContact CD1-CA 3.48Å; Y183-R219 HydrophobicContact CD1-CB 3.85Å; Y183-R219 HydrophobicContact CD1-CG 4.36Å; Y183-R219 HydrophobicContact CE1-CB 3.63Å; Y183-R219 HydrophobicContact CE1-CG 3.97Å |
| 184 | Y | 93 | Very high | 75.9 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 160.5 | 170.3 | 82.9 | -83.6 | 0 | 0 | 0 | 113 | I85 F105 V125 T126 M217 Q218 I220 | I85-Y184 HydrophobicContact CB-CE2 4.04Å; I85-Y184 HydrophobicContact CD1-CE2 4.39Å; I85-Y184 HydrophobicContact CG2-CE2 3.92Å; I85-Y184 PolarHBondContact O-OH 3.32Å; F105-Y184 HydrophobicContact CE1-CD1 4.17Å; F105-Y184 HydrophobicContact CE1-CD2 4.11Å; F105-Y184 AromaticContact CE1-CG 3.73Å; F105-Y184 HydrophobicContact CE1-CG 3.73Å; F105-Y184 HydrophobicContact CZ-CG 4.36Å; V125-Y184 HydrophobicContact CG1-CD2 3.85Å; V125-Y184 HydrophobicContact CG1-CG 4.36Å; T126-Y184 CarbonylContact O-C 3.57Å; T126-Y184 WeakPolarHBondContact O-CA 3.22Å; Y184-M217 WeakPolarHBondContact O-CA 3.46Å; Y184-Q218 HydrophobicContact CD1-CB 3.93Å; Y184-Q218 HydrophobicContact CE1-CB 3.55Å; Y184-Q218 HydrophobicContact CE1-CG 4.35Å; Y184-Q218 PolarHBondContact N-O 3.07Å; Y184-Q218 PolarHBondContact O-N 2.87Å; Y184-Q218 PolarHBondContact OH-OE1 2.96Å; Y184-I220 HydrophobicContact CD1-CD1 4.48Å; Y184-I220 HydrophobicContact CD1-CG1 3.92Å |
| 185 | Q | 89.9 | Confident | 76.8 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 133.7 | 174.7 | -159.7 | -179.1 | 46.5 | 0 | 0 | 109.8 | T126 Y128 V214 T215 | T126-Q185 PolarHBondContact N-O 3.27Å; T126-Q185 PolarHBondContact O-N 2.9Å; Y128-Q185 HydrophobicContact CE2-CB 4.19Å; Q185-V214 HydrophobicContact CG-CG1 3.43Å; Q185-V214 VanDerWaalsContact CG-CG1 3.43Å; Q185-V214 VanDerWaalsContact NE2-CG1 3.31Å; Q185-T215 WeakPolarHBondContact CG-O 3.47Å; Q185-T215 WeakPolarHBondContact CG-OG1 3.13Å; Q185-T215 PolarHBondContact NE2-O 2.69Å |
| 186 | A | 86.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L72 I85 P123 C124 V125 T215 | L72-A186 HydrophobicContact CD1-CB 4.22Å; I85-A186 HydrophobicContact CD1-CB 3.5Å; P123-A186 HydrophobicContact CB-CB 4.46Å; C124-A186 WeakPolarHBondContact O-CA 3.31Å; V125-A186 HydrophobicContact CG2-CB 4.44Å; A186-T215 HydrophobicContact CB-CG2 3.86Å; A186-T215 PolarHBondContact N-OG1 2.61Å; A186-T215 PolarHBondContact O-N 2.9Å; A186-T215 VanDerWaalsContact O-N 3.14Å |
| 187 | R | 82.1 | Confident | 76.5 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | -178.6 | -65.8 | 175.2 | -168.5 | 141 | 11.2 | 109.7 | C124 T126 Y128 V214 | C124-R187 PolarHBondContact N-O 2.81Å; C124-R187 PolarHBondContact O-N 2.89Å; T126-R187 PolarHBondContact OG1-NH1 2.99Å; Y128-R187 PolarHBondContact OH-NH2 2.95Å; R187-V214 HydrophobicContact CG-CB 4.42Å; R187-V214 HydrophobicContact CG-CG1 3.76Å; R187-V214 HydrophobicContact CG-CG2 4.1Å |
| 188 | P | 76.4 | Confident | 74.9 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 20% | 0.195 | 34% | 0.335 | C | S | . | . | trans | -60.4 | 156.3 | 167.6 | 28.9 | -37 | 0 | 0 | 0 | 110.8 | V212 P213 | P188-V212 HydrophobicContact CG-CG1 3.4Å; P188-V212 VanDerWaalsContact CG-CG1 3.4Å; P188-P213 WeakPolarHBondContact CD-O 3.2Å; P188-P213 HydrophobicContact CG-CG 4.14Å | ||
| 189 | R | 73.9 | Confident | 72.8 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | trans | -86.5 | 133.3 | 179 | -167.3 | 169.1 | 178.3 | -179.1 | -6.9 | 109 | G192 | R189-G192 VanDerWaalsContact CZ-O 3.32Å; R189-G192 VanDerWaalsContact NE-C 3.31Å; R189-G192 PolarHBondContact NE-O 3.38Å; R189-G192 PolarHBondContact NH2-O 3.48Å | ||
| 190 | V | 67.1 | Low | 70.3 | Confident | 60 Ų | 60 | 68 Ų | 68 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -116.2 | 125 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | G192 K193 | V190-G192 PolarHBondContact O-N 3.32Å; V190-K193 PolarHBondContact N-O 2.78Å; V190-K193 VanDerWaalsContact N-O 3.15Å; V190-K193 PolarHBondContact O-N 3.27Å |
| 191 | N | 61.6 | Low | 67.7 | Low | 160 Ų | 160 | 79.1 Ų | 79.1 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.8 | -177.2 | -59.6 | -15.1 | 0 | 0 | 0 | 113 | K193 | N191-K193 PolarHBondContact O-N 2.91Å; N191-K193 VanDerWaalsContact O-N 3.17Å |
| 192 | G | 62.2 | Low | 64.9 | Low | 39 Ų | 39 | 87.7 Ų | 87.7 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 4.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R189 V190 | R189-G192 VanDerWaalsContact CZ-O 3.32Å; R189-G192 VanDerWaalsContact NE-C 3.31Å; R189-G192 PolarHBondContact NE-O 3.38Å; R189-G192 PolarHBondContact NH2-O 3.48Å; V190-G192 PolarHBondContact O-N 3.32Å |
| 193 | K | 64.9 | Low | 61.7 | Low | 160 Ų | 160 | 92.7 Ų | 92.7 | 70% | 0.696 | 49% | 0.489 | S | S | * | . | B | Isolated β-bridge | trans | -126.3 | 161.6 | -178.2 | -66.3 | -176.4 | -179.6 | 179.8 | 0 | 112.3 | V190 N191 | V190-K193 PolarHBondContact N-O 2.78Å; V190-K193 VanDerWaalsContact N-O 3.15Å; V190-K193 PolarHBondContact O-N 3.27Å; N191-K193 PolarHBondContact O-N 2.91Å; N191-K193 VanDerWaalsContact O-N 3.17Å |
| 194 | C | 71.1 | Confident | 59 | Low | 36 Ų | 36 | 94.4 Ų | 94.4 | 24% | 0.243 | 51% | 0.511 | C | S | . | . | trans | -85.5 | 140.8 | 169.2 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | C124 A141 S196 | C124-C194 HydrophobicContact CB-CB 3.72Å; C124-C194 WeakPolarHBondContact CB-SG 3.29Å; C124-C194 WeakPolarHBondContact SG-CA 3.45Å; C124-C194 WeakPolarHBondContact SG-CB 3.38Å; C124-C194 CovalentContact SG-SG 2.03Å; C124-C194 PolarHBondContact SG-SG 2.91Å; A141-C194 VanDerWaalsContact CA-SG 3.57Å; A141-C194 VanDerWaalsContact CB-SG 3.51Å; C194-S196 VanDerWaalsContact C-N 3.31Å; C194-S196 PolarHBondContact O-N 3.34Å | ||
| 195 | F | 63.3 | Low | 56.5 | Low | 153 Ų | 153 | 99 Ų | 99 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | trans | -75.9 | 83.8 | -178.5 | -145.8 | -75.8 | 0 | 0 | 0 | 110.5 | V197 | F195-V197 HydrophobicContact CD1-CG2 3.97Å; F195-V197 HydrophobicContact CE1-CG2 4.44Å; F195-V197 PolarHBondContact O-N 3.27Å | ||
| 196 | S | 53.7 | Low | 53.7 | Low | 73 Ų | 73 | 101.1 Ų | 101.1 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | trans | -69 | 99 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | C194 N198 | C194-S196 VanDerWaalsContact C-N 3.31Å; C194-S196 PolarHBondContact O-N 3.34Å; S196-N198 PolarHBondContact O-N 3.22Å; S196-N198 PolarHBondContact OG-ND2 2.93Å; S196-N198 PolarHBondContact OG-OD1 3.33Å | ||
| 197 | V | 50.4 | Low | 51.3 | Low | 86 Ų | 86 | 106.7 Ų | 106.7 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | trans | -80.4 | 67.5 | 164.4 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | R137 F195 | R137-V197 PolarHBondContact NH2-O 3Å; F195-V197 HydrophobicContact CD1-CG2 3.97Å; F195-V197 HydrophobicContact CE1-CG2 4.44Å; F195-V197 PolarHBondContact O-N 3.27Å | ||
| 198 | N | 39.2 | Very low | 49.3 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 65% | 0.647 | 64% | 0.635 | S | S | * | * | trans | -64.4 | 147 | 169.8 | -88.3 | -3.7 | 0 | 0 | 0 | 110 | S196 S200 | S196-N198 PolarHBondContact O-N 3.22Å; S196-N198 PolarHBondContact OG-ND2 2.93Å; S196-N198 PolarHBondContact OG-OD1 3.33Å; N198-S200 PolarHBondContact O-N 3.07Å | ||
| 199 | G | 39.1 | Very low | 47.7 | Very low | 85 Ų | 85 | 113 Ų | 113 | 88% | 0.876 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -69.1 | 21.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | R201 | G199-R201 PolarHBondContact O-N 3Š|
| 200 | S | 33 | Very low | 46.3 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -76.5 | 84.8 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | N198 | N198-S200 PolarHBondContact O-N 3.07Š| ||
| 201 | R | 35.3 | Very low | 45.7 | Very low | 232 Ų | 232 | 123.7 Ų | 123.7 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | trans | 30.3 | 97.3 | 152.3 | -158.6 | 179.2 | -159.8 | 172.5 | 5.7 | 116 | G199 S203 | G199-R201 PolarHBondContact O-N 3Å; R201-S203 PolarHBondContact O-N 3.47Å | ||
| 202 | W | 32.8 | Very low | 45.8 | Very low | 234 Ų | 234 | 119.4 Ų | 119.4 | 89% | 0.886 | 69% | 0.69 | S | S | * | * | trans | -22.9 | 95.3 | 173 | -157.5 | -52.3 | 0 | 0 | 0 | 115.6 | ||||
| 203 | S | 25.9 | Very low | 45.9 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -90.2 | 103.4 | 168.9 | -71.6 | 0 | 0 | 0 | 0 | 109.5 | R201 S205 | R201-S203 PolarHBondContact O-N 3.47Å; S203-S205 PolarHBondContact O-N 2.73Å | ||
| 204 | S | 38 | Very low | 46.3 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -75.7 | 70.3 | -168 | -56.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 205 | S | 39.8 | Very low | 46.6 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 66% | 0.664 | S | S | * | * | trans | -150.2 | 32.1 | 178.9 | 56.4 | 0 | 0 | 0 | 0 | 116.7 | S203 | S203-S205 PolarHBondContact O-N 2.73Š| ||
| 206 | A | 30.7 | Very low | 47.5 | Very low | 83 Ų | 83 | 110.7 Ų | 110.7 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | trans | -149.7 | 133.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 207 | P | 36.1 | Very low | 49.1 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 76% | 0.76 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 147.8 | 158.8 | 31.5 | -32.7 | 0 | 0 | 0 | 108.7 | A209 | P207-A209 PolarHBondContact O-N 2.9Š|
| 208 | P | 41.7 | Very low | 50.9 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136.4 | 166.1 | -22.5 | 33.8 | 0 | 0 | 0 | 109.8 | ||
| 209 | A | 42.2 | Very low | 53.4 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 171.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P207 | P207-A209 PolarHBondContact O-N 2.9Š|
| 210 | E | 45.3 | Very low | 55.8 | Low | 180 Ų | 180 | 108.9 Ų | 108.9 | 84% | 0.841 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -37.6 | 147.6 | -174.7 | -64.2 | 168.3 | 105.5 | 0 | 0 | 114.7 | V212 | E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 WeakPolarHBondContact O-CG2 3.27Å; E210-V212 PolarHBondContact O-N 2.88Å |
| 211 | H | 54.2 | Low | 58.4 | Low | 197 Ų | 197 | 104.6 Ų | 104.6 | 91% | 0.912 | 58% | 0.575 | S | S | * | * | trans | -49 | 91 | -178.7 | -78 | 81.8 | 0 | 0 | 0 | 111.9 | ||||
| 212 | V | 62.9 | Low | 61 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 42% | 0.424 | 55% | 0.553 | S | S | . | * | trans | -60.3 | 124.4 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | P188 E210 V214 | P188-V212 HydrophobicContact CG-CG1 3.4Å; P188-V212 VanDerWaalsContact CG-CG1 3.4Å; E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 WeakPolarHBondContact O-CG2 3.27Å; E210-V212 PolarHBondContact O-N 2.88Å; V212-V214 WeakPolarHBondContact O-CG2 3.31Å; V212-V214 PolarHBondContact O-N 3.19Å | ||
| 213 | P | 64.6 | Low | 63.7 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 41% | 0.409 | 51% | 0.511 | S | S | . | . | trans | -64.2 | 130 | 178.8 | 25 | -33 | 0 | 0 | 0 | 109.6 | V70 P188 | V70-P213 HydrophobicContact CG1-CB 4.38Å; P188-P213 WeakPolarHBondContact CD-O 3.2Å; P188-P213 HydrophobicContact CG-CG 4.14Å | ||
| 214 | V | 72.4 | Confident | 66.6 | Low | 54 Ų | 54 | 83.6 Ų | 83.6 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | trans | -130.5 | 143 | -177.7 | -167.6 | 0 | 0 | 0 | 0 | 109 | Q185 R187 V212 | Q185-V214 HydrophobicContact CG-CG1 3.43Å; Q185-V214 VanDerWaalsContact CG-CG1 3.43Å; Q185-V214 VanDerWaalsContact NE2-CG1 3.31Å; R187-V214 HydrophobicContact CG-CB 4.42Å; R187-V214 HydrophobicContact CG-CG1 3.76Å; R187-V214 HydrophobicContact CG-CG2 4.1Å; V212-V214 WeakPolarHBondContact O-CG2 3.31Å; V212-V214 PolarHBondContact O-N 3.19Å | ||
| 215 | T | 78.5 | Confident | 68.9 | Low | 9 Ų | 9 | 78.7 Ų | 78.7 | 6% | 0.055 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -64 | 155.8 | 173 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | L72 Q185 A186 | L72-T215 HydrophobicContact CD1-CG2 3.53Å; L72-T215 HydrophobicContact CD2-CG2 3.8Å; L72-T215 HydrophobicContact CG-CG2 4.19Å; Q185-T215 WeakPolarHBondContact CG-O 3.47Å; Q185-T215 WeakPolarHBondContact CG-OG1 3.13Å; Q185-T215 PolarHBondContact NE2-O 2.69Å; A186-T215 HydrophobicContact CB-CG2 3.86Å; A186-T215 PolarHBondContact N-OG1 2.61Å; A186-T215 PolarHBondContact O-N 2.9Å; A186-T215 VanDerWaalsContact O-N 3.14Å |
| 216 | P | 82.3 | Confident | 70.9 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 150 | 151 | 27.4 | -35.3 | 0 | 0 | 0 | 109.7 | Q218 | P216-Q218 PolarHBondContact O-N 2.96Š|
| 217 | M | 86.1 | Confident | 73.2 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 126.8 | 175.3 | 177.7 | 170.5 | -97.5 | 0 | 0 | 109.3 | Y128 F130 Y183 Y184 | Y128-M217 HydrophobicContact CD1-CE 4.01Å; Y128-M217 HydrophobicContact CD2-CE 3.33Å; Y128-M217 HydrophobicContact CE1-CE 4.41Å; Y128-M217 HydrophobicContact CE2-CE 3.8Å; Y128-M217 HydrophobicContact CG-CE 3.45Å; Y128-M217 VanDerWaalsContact CG-CE 3.45Å; F130-M217 HydrophobicContact CE2-CE 3.88Å; F130-M217 HydrophobicContact CE2-SD 3.83Å; F130-M217 HydrophobicContact CZ-CE 3.98Å; F130-M217 HydrophobicContact CZ-SD 4.23Å; Y183-M217 HydrophobicContact CD1-CG 3.83Å; Y183-M217 HydrophobicContact CD1-SD 4.23Å; Y183-M217 HydrophobicContact CG-CG 3.97Å; Y183-M217 HydrophobicContact CG-SD 4.01Å; Y184-M217 WeakPolarHBondContact O-CA 3.46Å |
| 218 | Q | 88.4 | Confident | 74.7 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.4 | -178.8 | -65.4 | -171.4 | 19.2 | 0 | 0 | 110.7 | Y183 Y184 P216 | Y183-Q218 CarbonylContact C-O 3.56Å; Y183-Q218 WeakPolarHBondContact CA-O 3.41Å; Y183-Q218 WeakPolarHBondContact CB-O 3.44Å; Y184-Q218 HydrophobicContact CD1-CB 3.93Å; Y184-Q218 HydrophobicContact CE1-CB 3.55Å; Y184-Q218 HydrophobicContact CE1-CG 4.35Å; Y184-Q218 PolarHBondContact N-O 3.07Å; Y184-Q218 PolarHBondContact O-N 2.87Å; Y184-Q218 PolarHBondContact OH-OE1 2.96Å; P216-Q218 PolarHBondContact O-N 2.96Å |
| 219 | R | 91.4 | Very high | 75.6 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 137.2 | 176.1 | -171.6 | 178.9 | -179.2 | -103.4 | -0.4 | 110.4 | E181 Y183 | E181-R219 VanDerWaalsContact CD-NH2 3.27Å; E181-R219 IonicContact OE1-CZ 3.08Å; E181-R219 IonicContact OE1-NE 3.66Å; E181-R219 IonicContact OE1-NH2 2.63Å; E181-R219 PolarHBondContact OE1-NH2 2.98Å; E181-R219 IonicContact OE2-CZ 2.67Å; E181-R219 IonicContact OE2-NE 2.76Å; E181-R219 PolarHBondContact OE2-NE 3.47Å; E181-R219 IonicContact OE2-NH2 3.08Å; E181-R219 PolarHBondContact OE2-NH2 3.1Å; Y183-R219 VanDerWaalsContact CD1-CA 3.48Å; Y183-R219 HydrophobicContact CD1-CB 3.85Å; Y183-R219 HydrophobicContact CD1-CG 4.36Å; Y183-R219 HydrophobicContact CE1-CB 3.63Å; Y183-R219 HydrophobicContact CE1-CG 3.97Å |
| 220 | I | 90.7 | Very high | 75.9 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -49.6 | 169.9 | -56.3 | 169.9 | 0 | 0 | 0 | 109.6 | A87 V89 V103 F105 V127 L182 Y184 | A87-I220 HydrophobicContact CB-CD1 4.22Å; A87-I220 HydrophobicContact CB-CG1 4.07Å; A87-I220 HydrophobicContact CB-CG2 4.01Å; V89-I220 HydrophobicContact CG2-CG2 3.66Å; V103-I220 HydrophobicContact CG1-CD1 4.21Å; F105-I220 HydrophobicContact CE1-CD1 4.21Å; F105-I220 HydrophobicContact CZ-CD1 3.93Å; V127-I220 HydrophobicContact CG2-CD1 3.81Å; L182-I220 HydrophobicContact CB-CB 4.1Å; L182-I220 HydrophobicContact CB-CD1 4.19Å; L182-I220 PolarHBondContact O-N 2.86Å; Y184-I220 HydrophobicContact CD1-CD1 4.48Å; Y184-I220 HydrophobicContact CD1-CG1 3.92Å |
| 221 | G | 88 | Confident | 76.1 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | -163.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L182 | L182-G221 PolarHBondContact N-O 2.88Å |
| 222 | S | 88.8 | Confident | 76 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.1 | 177.4 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | S179 V180 E181 | S179-S222 WeakPolarHBondContact OG-CB 3.36Å; V180-S222 CarbonylContact O-C 3.54Å; V180-S222 VanDerWaalsContact O-CA 3.23Å; V180-S222 WeakPolarHBondContact O-CA 3.42Å; E181-S222 WeakPolarHBondContact OE1-CB 3.2Å |
| 223 | V | 89 | Confident | 75.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.9 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | V89 V94 V101 V180 L182 F225 | V89-V223 HydrophobicContact CG1-CG2 3.77Å; V94-V223 HydrophobicContact CB-CG1 4.29Å; V94-V223 HydrophobicContact CG2-CG1 3.7Å; V101-V223 HydrophobicContact CG1-CG1 4.44Å; V101-V223 HydrophobicContact CG1-CG2 4.07Å; V180-V223 PolarHBondContact N-O 2.9Å; V180-V223 PolarHBondContact O-N 2.81Å; L182-V223 HydrophobicContact CD1-CG2 3.61Å; L182-V223 HydrophobicContact CG-CG2 4.16Å; V223-F225 HydrophobicContact CB-CE2 4.15Å; V223-F225 HydrophobicContact CG1-CD2 4Å; V223-F225 HydrophobicContact CG1-CE2 3.69Å |
| 224 | Q | 87.8 | Confident | 75.3 | Confident | 71 Ų | 71 | 64 Ų | 64 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.6 | 177.8 | -74.7 | 179 | -18.9 | 0 | 0 | 111.3 | P92 R93 V94 | P92-Q224 PolarHBondContact O-N 2.78Å; R93-Q224 WeakPolarHBondContact CA-O 3.39Å; R93-Q224 HydrophobicContact CG-CB 4.1Å; V94-Q224 PolarHBondContact N-O 2.83Å |
| 225 | F | 86.4 | Confident | 75 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112 | -179.6 | -85.9 | -114.4 | 0 | 0 | 0 | 110.4 | V101 P155 W159 F160 G177 N178 V180 V223 | V101-F225 HydrophobicContact CG2-CE2 4.17Å; V101-F225 HydrophobicContact CG2-CZ 3.7Å; P155-F225 HydrophobicContact CB-CE1 3.45Å; P155-F225 VanDerWaalsContact CB-CE1 3.45Å; P155-F225 HydrophobicContact CB-CZ 3.77Å; P155-F225 HydrophobicContact CG-CE1 3.46Å; P155-F225 VanDerWaalsContact CG-CE1 3.46Å; P155-F225 HydrophobicContact CG-CZ 3.78Å; W159-F225 HydrophobicContact CB-CD1 4.04Å; W159-F225 HydrophobicContact CB-CE1 4.23Å; W159-F225 AromaticContact CE3-CE1 3.99Å; W159-F225 HydrophobicContact CE3-CE1 3.99Å; W159-F225 HydrophobicContact CE3-CZ 4.05Å; F160-F225 HydrophobicContact CD1-CB 4.32Å; F160-F225 AromaticContact CD1-CD1 3.81Å; F160-F225 HydrophobicContact CD1-CD1 3.81Å; F160-F225 HydrophobicContact CD2-CD1 4.27Å; F160-F225 HydrophobicContact CE1-CB 4.38Å; F160-F225 AromaticContact CE1-CD1 3.36Å; F160-F225 HydrophobicContact CE1-CD1 3.36Å; F160-F225 AromaticContact CE1-CE1 3.87Å; F160-F225 HydrophobicContact CE1-CE1 3.87Å; F160-F225 HydrophobicContact CE1-CG 4.16Å; F160-F225 AromaticContact CE2-CD1 3.87Å; F160-F225 HydrophobicContact CE2-CD1 3.87Å; F160-F225 AromaticContact CE2-CE1 3.88Å; F160-F225 HydrophobicContact CE2-CE1 3.88Å; F160-F225 HydrophobicContact CG-CD1 4.25Å; F160-F225 AromaticContact CZ-CD1 3.39Å; F160-F225 HydrophobicContact CZ-CD1 3.39Å; F160-F225 AromaticContact CZ-CE1 3.43Å; F160-F225 HydrophobicContact CZ-CE1 3.43Å; F160-F225 VanDerWaalsContact CZ-CE1 3.43Å; G177-F225 CarbonylContact C-O 3.51Å; G177-F225 VanDerWaalsContact CA-O 3.22Å; G177-F225 WeakPolarHBondContact CA-O 3.29Å; N178-F225 HydrophobicContact CB-CB 4.11Å; N178-F225 PolarHBondContact N-O 2.93Å; N178-F225 WeakPolarHBondContact O-CB 3.34Å; N178-F225 PolarHBondContact O-N 3.25Å; V180-F225 HydrophobicContact CB-CD2 3.77Å; V180-F225 HydrophobicContact CB-CE2 3.62Å; V180-F225 HydrophobicContact CB-CZ 4.42Å; V180-F225 HydrophobicContact CG1-CE2 4.12Å; V180-F225 HydrophobicContact CG2-CD1 4.37Å; V180-F225 HydrophobicContact CG2-CD2 3.35Å; V180-F225 HydrophobicContact CG2-CE2 3.53Å; V180-F225 HydrophobicContact CG2-CG 3.83Å; V180-F225 HydrophobicContact CG2-CZ 4.13Å; V223-F225 HydrophobicContact CB-CE2 4.15Å; V223-F225 HydrophobicContact CG1-CD2 4Å; V223-F225 HydrophobicContact CG1-CE2 3.69Å |
| 226 | L | 81.6 | Confident | 74.8 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118 | -168.1 | -68.3 | 167.5 | 0 | 0 | 0 | 111.2 | R93 V94 F95 S96 S175 I228 | R93-L226 HydrophobicContact CB-CD1 4.19Å; R93-L226 HydrophobicContact CG-CD1 4.14Å; V94-L226 PolarHBondContact O-N 2.92Å; F95-L226 WeakPolarHBondContact CA-O 3.4Å; F95-L226 HydrophobicContact CD1-CB 3.63Å; F95-L226 HydrophobicContact CD1-CD1 4.15Å; F95-L226 HydrophobicContact CE1-CB 3.85Å; F95-L226 HydrophobicContact CE1-CD1 3.5Å; F95-L226 HydrophobicContact CE1-CG 4.33Å; F95-L226 HydrophobicContact CZ-CD1 4.02Å; S96-L226 PolarHBondContact N-O 3.14Å; S96-L226 VanDerWaalsContact N-O 3.11Å; S175-L226 WeakPolarHBondContact O-CD2 3.34Å; L226-I228 PolarHBondContact O-N 3.15Å |
| 227 | Q | 78.9 | Confident | 74.9 | Confident | 117 Ų | 117 | 68 Ų | 68 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | trans | -74.3 | 110.4 | 174.1 | -151.5 | 173.2 | 17 | 0 | 0 | 109.8 | F160 P229 | F160-Q227 WeakPolarHBondContact O-CB 3.02Å; F160-Q227 WeakPolarHBondContact O-CG 3.48Å; F160-Q227 PolarHBondContact O-OE1 3.32Å; Q227-P229 WeakPolarHBondContact O-CD 3.47Å | ||
| 228 | I | 67 | Low | 75 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 123.4 | 168.5 | -83.6 | 178.5 | 0 | 0 | 0 | 109.1 | F95 S96 L226 M232 T234 | F95-I228 HydrophobicContact CB-CD1 3.77Å; F95-I228 HydrophobicContact CB-CG1 4.33Å; F95-I228 HydrophobicContact CD1-CD1 3.61Å; F95-I228 HydrophobicContact CD1-CG1 3.87Å; F95-I228 HydrophobicContact CE1-CD1 4.4Å; F95-I228 HydrophobicContact CG-CD1 3.84Å; F95-I228 HydrophobicContact CG-CG1 4.46Å; S96-I228 PolarHBondContact OG-N 3.4Å; S96-I228 PolarHBondContact OG-O 2.88Å; L226-I228 PolarHBondContact O-N 3.15Å; I228-M232 WeakPolarHBondContact CG2-O 3.38Å; I228-T234 HydrophobicContact CD1-CG2 4.46Å |
| 229 | P | 61.3 | Low | 75 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.5 | 164.7 | -21 | 34.4 | 0 | 0 | 0 | 110 | Q227 G231 M232 | Q227-P229 WeakPolarHBondContact O-CD 3.47Å; P229-G231 PolarHBondContact O-N 3.36Å; P229-G231 VanDerWaalsContact O-N 3.09Å; P229-M232 HydrophobicContact CB-CE 4.13Å; P229-M232 HydrophobicContact CG-CE 3.97Å; P229-M232 PolarHBondContact O-N 3.26Å |
| 230 | K | 49.2 | Very low | 74.8 | Confident | 220 Ų | 220 | 63.1 Ų | 63.1 | 96% | 0.957 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 118.7 | -177.1 | -65.5 | -176.8 | 179.5 | -178.8 | 0 | 110.7 | ||
| 231 | G | 49.7 | Very low | 74.4 | Confident | 80 Ų | 80 | 62 Ų | 62 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.1 | -29.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P229 A233 | P229-G231 PolarHBondContact O-N 3.36Å; P229-G231 VanDerWaalsContact O-N 3.09Å; G231-A233 PolarHBondContact O-N 3.4Å; G231-A233 VanDerWaalsContact O-N 3.15Å |
| 232 | M | 51.4 | Low | 74 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 37% | 0.365 | 37% | 0.372 | S | S | . | . | trans | -87.8 | 82.8 | 177.4 | -83.2 | -167.2 | -78.2 | 0 | 0 | 112.2 | I228 P229 | I228-M232 WeakPolarHBondContact CG2-O 3.38Å; P229-M232 HydrophobicContact CB-CE 4.13Å; P229-M232 HydrophobicContact CG-CE 3.97Å; P229-M232 PolarHBondContact O-N 3.26Å | ||
| 233 | A | 52.2 | Low | 73.7 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | trans | -55.4 | 172.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G231 L235 | G231-A233 PolarHBondContact O-N 3.4Å; G231-A233 VanDerWaalsContact O-N 3.15Å; A233-L235 HydrophobicContact CB-CG 4.37Å; A233-L235 WeakPolarHBondContact O-CG 3.3Å; A233-L235 PolarHBondContact O-N 3.08Å | ||
| 234 | T | 59.9 | Low | 73.7 | Confident | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -65.5 | 87.8 | 168.5 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | F95 I228 S250 | F95-T234 HydrophobicContact CD2-CG2 4Å; F95-T234 HydrophobicContact CE1-CG2 4.21Å; F95-T234 HydrophobicContact CE2-CG2 3.65Å; F95-T234 HydrophobicContact CG-CG2 4.43Å; F95-T234 HydrophobicContact CZ-CG2 3.76Å; I228-T234 HydrophobicContact CD1-CG2 4.46Å; T234-S250 VanDerWaalsContact CB-OG 3.3Å; T234-S250 WeakPolarHBondContact CB-OG 3.5Å; T234-S250 VanDerWaalsContact O-CB 3.25Å; T234-S250 WeakPolarHBondContact O-CB 3.46Å; T234-S250 PolarHBondContact O-N 2.96Å; T234-S250 PolarHBondContact O-OG 3.06Å; T234-S250 VanDerWaalsContact O-OG 3.06Å; T234-S250 PolarHBondContact OG1-OG 2.85Å |
| 235 | L | 65.8 | Low | 73.8 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.8 | -174.6 | -69.8 | 168.1 | 0 | 0 | 0 | 109.6 | A233 R237 R247 T248 | A233-L235 HydrophobicContact CB-CG 4.37Å; A233-L235 WeakPolarHBondContact O-CG 3.3Å; A233-L235 PolarHBondContact O-N 3.08Å; L235-R237 WeakPolarHBondContact O-CG 3.41Å; L235-R247 HydrophobicContact CB-CB 4.33Å; L235-R247 HydrophobicContact CD1-CB 4.36Å; L235-T248 CarbonylContact C-O 3.54Å; L235-T248 WeakPolarHBondContact CA-O 3.2Å; L235-T248 VanDerWaalsContact CD2-C 3.46Å; L235-T248 WeakPolarHBondContact CD2-O 3.43Å |
| 236 | S | 74.6 | Confident | 74 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 148.3 | 164.8 | 68.9 | 0 | 0 | 0 | 0 | 109.2 | R247 T248 M370 | S236-R247 VanDerWaalsContact O-CA 3.31Å; S236-R247 WeakPolarHBondContact O-CA 3.44Å; S236-T248 PolarHBondContact N-O 3.11Å; S236-T248 PolarHBondContact O-N 2.99Å; S236-T248 WeakPolarHBondContact OG-CG2 3.41Å; S236-T248 PolarHBondContact OG-O 3Å; S236-M370 WeakPolarHBondContact OG-CE 2.99Å |
| 237 | R | 85.6 | Confident | 74.2 | Confident | 149 Ų | 149 | 63.5 Ų | 63.5 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123.7 | -171.9 | -52.2 | -171.4 | 178.1 | 167.9 | -1.5 | 111.1 | L235 I246 R247 | L235-R237 WeakPolarHBondContact O-CG 3.41Å; R237-I246 WeakPolarHBondContact CA-O 3.43Å; R237-R247 HydrophobicContact CG-CG 4.28Å |
| 238 | L | 87.2 | Confident | 74.6 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.9 | 167.8 | 177.7 | 62.5 | 0 | 0 | 0 | 109 | L240 V245 I246 W352 G368 M370 | L238-L240 HydrophobicContact CD1-CD2 4.48Å; L238-L240 HydrophobicContact CD2-CD2 3.91Å; L238-L240 HydrophobicContact CD2-CG 4.33Å; L238-L240 HydrophobicContact CG-CD2 4.06Å; L238-L240 HydrophobicContact CG-CG 4.32Å; L238-V245 CarbonylContact O-C 3.57Å; L238-V245 WeakPolarHBondContact O-CA 3.42Å; L238-I246 HydrophobicContact CB-CB 4.48Å; L238-I246 PolarHBondContact N-O 3.15Å; L238-I246 PolarHBondContact O-N 3.02Å; L238-W352 HydrophobicContact CD2-CB 3.98Å; L238-W352 HydrophobicContact CD2-CG 4.14Å; L238-G368 WeakPolarHBondContact CD2-O 2.94Å; L238-M370 HydrophobicContact CB-CG 3.73Å; L238-M370 HydrophobicContact CB-SD 3.64Å; L238-M370 HydrophobicContact CD2-CG 3.81Å; L238-M370 HydrophobicContact CD2-SD 4.23Å; L238-M370 HydrophobicContact CG-CG 4.35Å |
| 239 | K | 88.1 | Confident | 75 | Confident | 158 Ų | 158 | 59.1 Ų | 59.1 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.2 | 169.9 | -63.1 | -173.3 | 179.4 | 179.8 | 0 | 109 | I244 V245 | K239-I244 WeakPolarHBondContact CA-O 3.17Å; K239-V245 HydrophobicContact CG-CG2 4.27Å |
| 240 | L | 87.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113 | 174.1 | -62 | 176.9 | 0 | 0 | 0 | 108.7 | L238 A243 I244 I246 L276 W352 L354 | L238-L240 HydrophobicContact CD1-CD2 4.48Å; L238-L240 HydrophobicContact CD2-CD2 3.91Å; L238-L240 HydrophobicContact CD2-CG 4.33Å; L238-L240 HydrophobicContact CG-CD2 4.06Å; L238-L240 HydrophobicContact CG-CG 4.32Å; L240-A243 PolarHBondContact O-N 3.02Å; L240-I244 HydrophobicContact CB-CB 4.34Å; L240-I244 PolarHBondContact N-O 2.96Å; L240-I244 PolarHBondContact O-N 3.14Å; L240-I244 VanDerWaalsContact O-N 3.1Å; L240-I246 HydrophobicContact CD1-CD1 3.76Å; L240-I246 HydrophobicContact CD1-CG1 4.43Å; L240-L276 HydrophobicContact CD1-CD1 3.66Å; L240-W352 HydrophobicContact CD1-CB 3.85Å; L240-L354 HydrophobicContact CB-CB 4.05Å; L240-L354 HydrophobicContact CB-CD2 4.25Å; L240-L354 HydrophobicContact CD1-CB 4.32Å |
| 241 | G | 82.5 | Confident | 76.9 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -152.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A243 K365 | G241-A243 VanDerWaalsContact C-N 3.32Å; G241-K365 PolarHBondContact N-O 3.04Å |
| 242 | N | 79.2 | Confident | 78.2 | Confident | 148 Ų | 148 | 52.1 Ų | 52.1 | 79% | 0.791 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.4 | 167.6 | -70.1 | -10.8 | 0 | 0 | 0 | 112.4 | ||
| 243 | A | 83.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -41.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L240 G241 M265 A266 A269 L271 L354 | L240-A243 PolarHBondContact O-N 3.02Å; G241-A243 VanDerWaalsContact C-N 3.32Å; A243-M265 CarbonylContact O-C 3.6Å; A243-M265 WeakPolarHBondContact O-CA 3.49Å; A243-A266 PolarHBondContact O-N 2.88Å; A243-A269 HydrophobicContact CB-CB 3.66Å; A243-L271 HydrophobicContact CB-CD1 3.97Å; A243-L354 HydrophobicContact CB-CD2 4.44Å |
| 244 | I | 89.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.1 | -175.4 | -60.8 | -60.9 | 0 | 0 | 0 | 110.5 | K239 L240 I246 I263 L264 M265 L271 F274 L354 | K239-I244 WeakPolarHBondContact CA-O 3.17Å; L240-I244 HydrophobicContact CB-CB 4.34Å; L240-I244 PolarHBondContact N-O 2.96Å; L240-I244 PolarHBondContact O-N 3.14Å; L240-I244 VanDerWaalsContact O-N 3.1Å; I244-I246 HydrophobicContact CG2-CG1 4.15Å; I244-I263 HydrophobicContact CG2-CG2 3.89Å; I244-L264 CarbonylContact C-O 3.57Å; I244-L264 WeakPolarHBondContact CA-O 3.39Å; I244-M265 HydrophobicContact CD1-CB 4.03Å; I244-M265 HydrophobicContact CD1-CG 4.26Å; I244-L271 HydrophobicContact CD1-CD1 4.42Å; I244-F274 HydrophobicContact CD1-CD2 4.44Å; I244-F274 HydrophobicContact CD1-CE1 4Å; I244-F274 HydrophobicContact CD1-CE2 3.93Å; I244-F274 HydrophobicContact CD1-CZ 3.68Å; I244-F274 HydrophobicContact CG1-CE2 4.34Å; I244-L354 HydrophobicContact CB-CD2 4.17Å; I244-L354 HydrophobicContact CG1-CD1 3.86Å; I244-L354 HydrophobicContact CG1-CD2 3.75Å; I244-L354 HydrophobicContact CG1-CG 4.46Å |
| 245 | V | 88.8 | Confident | 81.4 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 113.4 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | L238 K239 L264 L328 | L238-V245 CarbonylContact O-C 3.57Å; L238-V245 WeakPolarHBondContact O-CA 3.42Å; K239-V245 HydrophobicContact CG-CG2 4.27Å; V245-L264 PolarHBondContact N-O 2.84Å; V245-L264 WeakPolarHBondContact O-CB 3.36Å; V245-L264 WeakPolarHBondContact O-CD1 3.33Å; V245-L264 PolarHBondContact O-N 2.77Å; V245-L328 HydrophobicContact CB-CD2 4.22Å; V245-L328 HydrophobicContact CG2-CD2 3.8Å |
| 246 | I | 90.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.1 | 176.9 | -51.7 | -177.6 | 0 | 0 | 0 | 108.9 | R237 L238 L240 I244 F261 Y262 I263 L276 W352 M370 | R237-I246 WeakPolarHBondContact CA-O 3.43Å; L238-I246 HydrophobicContact CB-CB 4.48Å; L238-I246 PolarHBondContact N-O 3.15Å; L238-I246 PolarHBondContact O-N 3.02Å; L240-I246 HydrophobicContact CD1-CD1 3.76Å; L240-I246 HydrophobicContact CD1-CG1 4.43Å; I244-I246 HydrophobicContact CG2-CG1 4.15Å; I246-F261 HydrophobicContact CG2-CB 4.16Å; I246-F261 HydrophobicContact CG2-CD1 3.84Å; I246-F261 HydrophobicContact CG2-CG 4.49Å; I246-Y262 CarbonylContact C-O 3.55Å; I246-Y262 WeakPolarHBondContact CA-O 3.25Å; I246-I263 HydrophobicContact CG1-CG1 4.49Å; I246-L276 HydrophobicContact CD1-CD1 4.24Å; I246-L276 HydrophobicContact CD1-CD2 4.07Å; I246-W352 HydrophobicContact CD1-CB 4Å; I246-W352 HydrophobicContact CD1-CD2 3.45Å; I246-W352 VanDerWaalsContact CD1-CD2 3.45Å; I246-W352 HydrophobicContact CD1-CE3 3.4Å; I246-W352 VanDerWaalsContact CD1-CE3 3.4Å; I246-W352 HydrophobicContact CD1-CG 3.74Å; I246-W352 HydrophobicContact CD1-CZ3 3.99Å; I246-W352 HydrophobicContact CG2-CZ2 4.45Å; I246-M370 HydrophobicContact CB-SD 4.04Å; I246-M370 HydrophobicContact CG2-SD 3.74Å |
| 247 | R | 87.1 | Confident | 82.2 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.3 | 178 | -62.1 | -176.6 | 177.8 | 178.1 | -5.3 | 111.8 | L235 S236 R237 F261 Y262 L264 L328 | L235-R247 HydrophobicContact CB-CB 4.33Å; L235-R247 HydrophobicContact CD1-CB 4.36Å; S236-R247 VanDerWaalsContact O-CA 3.31Å; S236-R247 WeakPolarHBondContact O-CA 3.44Å; R237-R247 HydrophobicContact CG-CG 4.28Å; R247-F261 CarbonylContact O-C 3.55Å; R247-F261 WeakPolarHBondContact O-CA 3.37Å; R247-Y262 PolarHBondContact N-O 2.97Å; R247-Y262 PolarHBondContact O-N 2.83Å; R247-L264 HydrophobicContact CB-CD1 4.25Å; R247-L264 HydrophobicContact CG-CD1 3.7Å; R247-L328 VanDerWaalsContact NH2-CD1 3.25Å |
| 248 | T | 85.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.5 | 166.9 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | L235 S236 T260 F261 M370 | L235-T248 CarbonylContact C-O 3.54Å; L235-T248 WeakPolarHBondContact CA-O 3.2Å; L235-T248 VanDerWaalsContact CD2-C 3.46Å; L235-T248 WeakPolarHBondContact CD2-O 3.43Å; S236-T248 PolarHBondContact N-O 3.11Å; S236-T248 PolarHBondContact O-N 2.99Å; S236-T248 WeakPolarHBondContact OG-CG2 3.41Å; S236-T248 PolarHBondContact OG-O 3Å; T248-T260 VanDerWaalsContact CB-O 3.29Å; T248-T260 WeakPolarHBondContact CB-O 3.45Å; T248-T260 PolarHBondContact OG1-O 3.42Å; T248-F261 HydrophobicContact CG2-CD1 3.95Å; T248-F261 HydrophobicContact CG2-CE1 3.55Å; T248-F261 HydrophobicContact CG2-CZ 3.93Å; T248-M370 HydrophobicContact CG2-CE 3.57Å |
| 249 | S | 76.9 | Confident | 82.2 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 136.6 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | K251 | S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 WeakPolarHBondContact OG-CB 3.38Å; S249-K251 PolarHBondContact OG-N 2.85Å; S249-K251 VanDerWaalsContact OG-N 3.15Å |
| 250 | S | 72.9 | Confident | 82.2 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | trans | -86.4 | 2.1 | 169.6 | 77.9 | 0 | 0 | 0 | 0 | 113.5 | T234 | T234-S250 VanDerWaalsContact CB-OG 3.3Å; T234-S250 WeakPolarHBondContact CB-OG 3.5Å; T234-S250 VanDerWaalsContact O-CB 3.25Å; T234-S250 WeakPolarHBondContact O-CB 3.46Å; T234-S250 PolarHBondContact O-N 2.96Å; T234-S250 PolarHBondContact O-OG 3.06Å; T234-S250 VanDerWaalsContact O-OG 3.06Å; T234-S250 PolarHBondContact OG1-OG 2.85Å | ||
| 251 | K | 75.9 | Confident | 82.4 | Confident | 133 Ų | 133 | 46.6 Ų | 46.6 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -76 | 146.1 | 175 | -60.6 | 178.1 | -177.9 | 174.3 | 0 | 109.7 | S249 | S249-K251 VanDerWaalsContact C-N 3.3Å; S249-K251 WeakPolarHBondContact OG-CB 3.38Å; S249-K251 PolarHBondContact OG-N 2.85Å; S249-K251 VanDerWaalsContact OG-N 3.15Å |
| 252 | P | 77.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | trans | -61.8 | 156 | 162.9 | 34.4 | -40.2 | 0 | 0 | 0 | 110 | Y373 T375 Y464 | P252-Y373 WeakPolarHBondContact CA-O 3.01Å; P252-T375 HydrophobicContact CB-CG2 3.77Å; P252-T375 HydrophobicContact CG-CG2 3.79Å; P252-Y464 HydrophobicContact CB-CD1 3.88Å; P252-Y464 HydrophobicContact CB-CD2 4.41Å; P252-Y464 HydrophobicContact CB-CE1 3.89Å; P252-Y464 HydrophobicContact CB-CE2 4.41Å; P252-Y464 HydrophobicContact CB-CG 4.15Å; P252-Y464 HydrophobicContact CG-CD1 4.23Å; P252-Y464 HydrophobicContact CG-CD2 4.15Å; P252-Y464 HydrophobicContact CG-CE1 3.85Å; P252-Y464 HydrophobicContact CG-CE2 3.75Å; P252-Y464 HydrophobicContact CG-CG 4.37Å | ||
| 253 | L | 79.8 | Confident | 83.3 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -110.6 | 145.7 | 179.9 | -61.6 | -178.1 | 0 | 0 | 0 | 110.4 | D257 A259 V338 I372 Y373 T374 T375 | L253-D257 HydrophobicContact CB-CB 3.9Å; L253-D257 HydrophobicContact CD2-CB 4.23Å; L253-D257 HydrophobicContact CG-CB 4.5Å; L253-A259 HydrophobicContact CD1-CB 3.45Å; L253-A259 VanDerWaalsContact CD1-CB 3.45Å; L253-V338 HydrophobicContact CB-CG2 4.2Å; L253-V338 HydrophobicContact CD1-CG2 4.01Å; L253-I372 HydrophobicContact CD1-CG2 3.81Å; L253-I372 HydrophobicContact CG-CG2 4.33Å; L253-Y373 PolarHBondContact N-O 3.09Å; L253-T374 CarbonylContact O-C 3.54Å; L253-T374 VanDerWaalsContact O-CA 3.27Å; L253-T374 WeakPolarHBondContact O-CA 3.43Å; L253-T375 PolarHBondContact O-N 2.67Å |
| 254 | K | 77.8 | Confident | 83.5 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | trans | -81.3 | 169 | 172.4 | -61.1 | -173.9 | 179.9 | -174.6 | 0 | 110.3 | T256 D257 D378 | K254-T256 PolarHBondContact O-N 3.21Å; K254-D257 WeakPolarHBondContact CB-OD2 3.47Å; K254-D257 PolarHBondContact N-OD2 3.15Å; K254-D257 WeakPolarHBondContact O-CB 3.49Å; K254-D257 PolarHBondContact O-N 2.96Å; K254-D257 VanDerWaalsContact O-N 3.12Å; K254-D378 WeakPolarHBondContact CE-OD1 3.06Å; K254-D378 IonicContact NZ-OD1 3.8Å; K254-D378 PolarHBondContact NZ-OD1 3.17Å; K254-D378 VanDerWaalsContact NZ-OD1 3.07Å; K254-D378 IonicContact NZ-OD2 2.81Å; K254-D378 PolarHBondContact NZ-OD2 3.19Å | ||
| 255 | K | 74.1 | Confident | 83.4 | Confident | 94 Ų | 94 | 42.3 Ų | 42.3 | 41% | 0.409 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.1 | 169.7 | -62.7 | 179 | 178.4 | 179.3 | 0 | 108.8 | D257 E340 | K255-D257 PolarHBondContact O-N 2.03Å; K255-E340 HydrophobicContact CD-CG 4.35Å; K255-E340 WeakPolarHBondContact CD-OE1 3.2Å; K255-E340 WeakPolarHBondContact CE-OE1 3.41Å; K255-E340 IonicContact NZ-OE1 2.65Å; K255-E340 PolarHBondContact NZ-OE1 3.41Å |
| 256 | T | 74.9 | Confident | 83.2 | Confident | 102 Ų | 102 | 42.2 Ų | 42.2 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 4.6 | -175 | 72.7 | 0 | 0 | 0 | 0 | 117.3 | K254 V338 | K254-T256 PolarHBondContact O-N 3.21Å; T256-V338 PolarHBondContact N-O 2.88Å |
| 257 | D | 82.1 | Confident | 82.5 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | trans | -69 | 152.1 | 169.5 | -86 | -13.2 | 0 | 0 | 0 | 111.2 | L253 K254 K255 V338 | L253-D257 HydrophobicContact CB-CB 3.9Å; L253-D257 HydrophobicContact CD2-CB 4.23Å; L253-D257 HydrophobicContact CG-CB 4.5Å; K254-D257 WeakPolarHBondContact CB-OD2 3.47Å; K254-D257 PolarHBondContact N-OD2 3.15Å; K254-D257 WeakPolarHBondContact O-CB 3.49Å; K254-D257 PolarHBondContact O-N 2.96Å; K254-D257 VanDerWaalsContact O-N 3.12Å; K255-D257 PolarHBondContact O-N 2.03Å; D257-V338 PolarHBondContact O-N 2.88Å | ||
| 258 | I | 85.2 | Confident | 81.9 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.1 | 178.9 | -57.9 | 175.3 | 0 | 0 | 0 | 110.4 | T260 D335 F336 | I258-T260 PolarHBondContact O-N 3.22Å; I258-D335 HydrophobicContact CG2-CB 3.7Å; I258-F336 CarbonylContact C-O 3.58Å; I258-F336 WeakPolarHBondContact CA-O 3.32Å |
| 259 | A | 86.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 95.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L253 F261 F336 I372 | L253-A259 HydrophobicContact CD1-CB 3.45Å; L253-A259 VanDerWaalsContact CD1-CB 3.45Å; A259-F261 HydrophobicContact CB-CE2 3.84Å; A259-F261 WeakPolarHBondContact O-CD2 3.13Å; A259-F336 HydrophobicContact CB-CB 4.33Å; A259-F336 PolarHBondContact N-O 3.48Å; A259-F336 PolarHBondContact O-N 3.11Å; A259-I372 HydrophobicContact CB-CD1 3.93Å |
| 260 | T | 88.6 | Confident | 81.3 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.1 | 178.5 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | T248 I258 Y262 Q333 D335 | T248-T260 VanDerWaalsContact CB-O 3.29Å; T248-T260 WeakPolarHBondContact CB-O 3.45Å; T248-T260 PolarHBondContact OG1-O 3.42Å; I258-T260 PolarHBondContact O-N 3.22Å; T260-Y262 HydrophobicContact CG2-CD2 4.35Å; T260-Y262 HydrophobicContact CG2-CE1 4.15Å; T260-Y262 HydrophobicContact CG2-CE2 3.72Å; T260-Q333 VanDerWaalsContact CG2-CD 3.41Å; T260-Q333 HydrophobicContact CG2-CG 3.48Å; T260-Q333 VanDerWaalsContact CG2-CG 3.48Å; T260-D335 WeakPolarHBondContact CA-OD1 3.42Å; T260-D335 VanDerWaalsContact CB-OD1 3.24Å; T260-D335 WeakPolarHBondContact CB-OD1 3.44Å; T260-D335 VanDerWaalsContact CG2-OD1 3.32Å; T260-D335 WeakPolarHBondContact CG2-OD1 3.43Å; T260-D335 PolarHBondContact OG1-OD1 3.3Å |
| 261 | F | 89.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.2 | 176.4 | -67.6 | -104.3 | 0 | 0 | 0 | 110.9 | I246 R247 T248 A259 I263 Q333 M334 F336 I350 W352 M370 I372 | I246-F261 HydrophobicContact CG2-CB 4.16Å; I246-F261 HydrophobicContact CG2-CD1 3.84Å; I246-F261 HydrophobicContact CG2-CG 4.49Å; R247-F261 CarbonylContact O-C 3.55Å; R247-F261 WeakPolarHBondContact O-CA 3.37Å; T248-F261 HydrophobicContact CG2-CD1 3.95Å; T248-F261 HydrophobicContact CG2-CE1 3.55Å; T248-F261 HydrophobicContact CG2-CZ 3.93Å; A259-F261 HydrophobicContact CB-CE2 3.84Å; A259-F261 WeakPolarHBondContact O-CD2 3.13Å; F261-I263 HydrophobicContact CB-CD1 4.33Å; F261-I263 VanDerWaalsContact O-CD1 3.31Å; F261-I263 WeakPolarHBondContact O-CD1 3.41Å; F261-Q333 CarbonylContact O-C 3.59Å; F261-Q333 WeakPolarHBondContact O-CA 3.46Å; F261-M334 PolarHBondContact N-O 3.38Å; F261-M334 PolarHBondContact O-N 3.19Å; F261-F336 AromaticContact CD2-CD2 3.57Å; F261-F336 HydrophobicContact CD2-CD2 3.57Å; F261-F336 AromaticContact CD2-CE2 3.71Å; F261-F336 HydrophobicContact CD2-CE2 3.71Å; F261-F336 AromaticContact CE2-CD2 3.76Å; F261-F336 HydrophobicContact CE2-CD2 3.76Å; F261-F336 HydrophobicContact CE2-CE2 4.11Å; F261-F336 HydrophobicContact CG-CE2 4.37Å; F261-I350 HydrophobicContact CE2-CD1 3.89Å; F261-I350 HydrophobicContact CZ-CD1 3.87Å; F261-W352 HydrophobicContact CB-CH2 4.11Å; F261-W352 HydrophobicContact CB-CZ2 4.17Å; F261-W352 HydrophobicContact CD1-CH2 4.24Å; F261-W352 AromaticContact CD1-CZ2 3.45Å; F261-W352 HydrophobicContact CD1-CZ2 3.45Å; F261-W352 VanDerWaalsContact CD1-CZ2 3.45Å; F261-W352 HydrophobicContact CD2-CZ2 4.23Å; F261-W352 AromaticContact CE1-CZ2 3.8Å; F261-W352 HydrophobicContact CE1-CZ2 3.8Å; F261-W352 HydrophobicContact CG-CH2 4.12Å; F261-W352 AromaticContact CG-CZ2 3.7Å; F261-W352 HydrophobicContact CG-CZ2 3.7Å; F261-W352 HydrophobicContact CZ-CZ2 4.34Å; F261-M370 HydrophobicContact CD1-CE 4.06Å; F261-M370 HydrophobicContact CD1-SD 3.95Å; F261-M370 HydrophobicContact CE1-CB 4.16Å; F261-M370 HydrophobicContact CE1-CE 3.81Å; F261-M370 HydrophobicContact CE1-SD 3.79Å; F261-I372 HydrophobicContact CE2-CD1 4.1Å; F261-I372 HydrophobicContact CZ-CD1 3.91Å; F261-I372 HydrophobicContact CZ-CG1 4.02Å |
| 262 | Y | 89.3 | Confident | 81.9 | Confident | 80 Ų | 80 | 45.4 Ų | 45.4 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.1 | 173.1 | -58.8 | -81.9 | 0 | 0 | 0 | 109.9 | I246 R247 T260 Q333 | I246-Y262 CarbonylContact C-O 3.55Å; I246-Y262 WeakPolarHBondContact CA-O 3.25Å; R247-Y262 PolarHBondContact N-O 2.97Å; R247-Y262 PolarHBondContact O-N 2.83Å; T260-Y262 HydrophobicContact CG2-CD2 4.35Å; T260-Y262 HydrophobicContact CG2-CE1 4.15Å; T260-Y262 HydrophobicContact CG2-CE2 3.72Å; Y262-Q333 HydrophobicContact CD1-CB 4.42Å; Y262-Q333 HydrophobicContact CD1-CG 4.33Å; Y262-Q333 HydrophobicContact CE1-CG 4.14Å; Y262-Q333 VanDerWaalsContact CE1-OE1 3.25Å |
| 263 | I | 91.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.9 | 177.3 | -65.7 | 61 | 0 | 0 | 0 | 107.2 | I244 I246 F261 L276 V331 L332 M334 | I244-I263 HydrophobicContact CG2-CG2 3.89Å; I246-I263 HydrophobicContact CG1-CG1 4.49Å; F261-I263 HydrophobicContact CB-CD1 4.33Å; F261-I263 VanDerWaalsContact O-CD1 3.31Å; F261-I263 WeakPolarHBondContact O-CD1 3.41Å; I263-L276 HydrophobicContact CB-CD2 4.5Å; I263-L276 HydrophobicContact CD1-CD2 4.45Å; I263-L276 HydrophobicContact CG1-CD2 3.49Å; I263-L276 VanDerWaalsContact CG1-CD2 3.49Å; I263-L276 HydrophobicContact CG2-CD2 4.09Å; I263-V331 PolarHBondContact O-N 2.85Å; I263-L332 HydrophobicContact CB-CG 4.09Å; I263-L332 HydrophobicContact CD1-CD1 4.03Å; I263-L332 HydrophobicContact CD1-CG 4.33Å; I263-L332 HydrophobicContact CG1-CD1 4.29Å; I263-L332 HydrophobicContact CG1-CG 4.21Å; I263-L332 PolarHBondContact N-O 2.87Å; I263-M334 HydrophobicContact CD1-CB 4.28Å; I263-M334 HydrophobicContact CD1-CG 3.88Å; I263-M334 HydrophobicContact CD1-SD 4.19Å |
| 264 | L | 89 | Confident | 82.9 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 144.8 | 176.6 | -57 | 95.6 | 0 | 0 | 0 | 111.6 | I244 V245 R247 L328 L329 E330 | I244-L264 CarbonylContact C-O 3.57Å; I244-L264 WeakPolarHBondContact CA-O 3.39Å; V245-L264 PolarHBondContact N-O 2.84Å; V245-L264 WeakPolarHBondContact O-CB 3.36Å; V245-L264 WeakPolarHBondContact O-CD1 3.33Å; V245-L264 PolarHBondContact O-N 2.77Å; R247-L264 HydrophobicContact CB-CD1 4.25Å; R247-L264 HydrophobicContact CG-CD1 3.7Å; L264-L328 HydrophobicContact CB-CB 4.17Å; L264-L328 HydrophobicContact CB-CD2 4.29Å; L264-L328 HydrophobicContact CD2-CB 3.71Å; L264-L328 HydrophobicContact CD2-CD1 4.39Å; L264-L329 CarbonylContact C-O 3.56Å; L264-L329 WeakPolarHBondContact CA-O 3.39Å; L264-E330 HydrophobicContact CD2-CG 3.54Å; L264-E330 HydrophobicContact CG-CG 3.7Å |
| 265 | M | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.8 | 170.5 | -177.2 | -179.4 | 70 | 0 | 0 | 110.6 | A243 I244 L271 W297 I319 L328 L329 V331 | A243-M265 CarbonylContact O-C 3.6Å; A243-M265 WeakPolarHBondContact O-CA 3.49Å; I244-M265 HydrophobicContact CD1-CB 4.03Å; I244-M265 HydrophobicContact CD1-CG 4.26Å; M265-L271 HydrophobicContact SD-CB 3.71Å; M265-L271 HydrophobicContact SD-CG 4.19Å; M265-W297 HydrophobicContact CE-CH2 3.94Å; M265-W297 HydrophobicContact CE-CZ2 3.84Å; M265-W297 HydrophobicContact SD-CH2 3.97Å; M265-W297 HydrophobicContact SD-CZ2 4.34Å; M265-I319 HydrophobicContact CE-CD1 4.21Å; M265-L328 WeakPolarHBondContact O-CA 3.48Å; M265-L329 HydrophobicContact CE-CD1 4.02Å; M265-L329 PolarHBondContact N-O 2.78Å; M265-L329 PolarHBondContact O-N 2.87Å; M265-V331 HydrophobicContact CB-CG2 3.86Å |
| 266 | A | 83.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A243 S268 A269 L328 | A243-A266 PolarHBondContact O-N 2.88Å; A266-S268 PolarHBondContact O-N 3.26Å; A266-S268 VanDerWaalsContact O-N 3.11Å; A266-A269 HydrophobicContact CB-CB 4.36Å; A266-A269 WeakPolarHBondContact O-CB 3.33Å; A266-A269 PolarHBondContact O-N 2.75Å; A266-L328 HydrophobicContact CB-CD2 4.44Å |
| 267 | S | 75.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 12% | 0.119 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.6 | 178.7 | -70.8 | 0 | 0 | 0 | 0 | 113.5 | S327 | S267-S327 WeakPolarHBondContact CB-O 3.34Å; S267-S327 WeakPolarHBondContact CB-OG 3.41Å; S267-S327 PolarHBondContact N-O 2.9Å; S267-S327 PolarHBondContact OG-O 3.14Å; S267-S327 VanDerWaalsContact OG-O 3.14Å; S267-S327 PolarHBondContact OG-OG 3.36Å |
| 268 | S | 74.9 | Confident | 85.5 | Confident | 89 Ų | 89 | 35.5 Ų | 35.5 | 62% | 0.622 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.1 | 174 | 53 | 0 | 0 | 0 | 0 | 114.5 | A266 | A266-S268 PolarHBondContact O-N 3.26Å; A266-S268 VanDerWaalsContact O-N 3.11Å |
| 269 | A | 75.4 | Confident | 85.7 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 23% | 0.231 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -19.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A243 A266 L271 | A243-A269 HydrophobicContact CB-CB 3.66Å; A266-A269 HydrophobicContact CB-CB 4.36Å; A266-A269 WeakPolarHBondContact O-CB 3.33Å; A266-A269 PolarHBondContact O-N 2.75Å; A269-L271 HydrophobicContact CB-CG 4.38Å; A269-L271 PolarHBondContact O-N 3.11Å |
| 270 | Q | 74.6 | Confident | 85.6 | Confident | 110 Ų | 110 | 36.1 Ų | 36.1 | 51% | 0.514 | 20% | 0.202 | S | C | . | . | trans | 52.1 | 18.5 | 169.3 | -75.9 | -70.9 | 9.8 | 0 | 0 | 117.7 | T272 R315 | Q270-T272 PolarHBondContact O-N 2.93Å; Q270-R315 PolarHBondContact O-NH1 3.15Å; Q270-R315 PolarHBondContact O-NH2 2.63Å | ||
| 271 | L | 79.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | trans | -57.5 | 133.8 | -170.8 | -57.7 | 178 | 0 | 0 | 0 | 112.7 | A243 I244 M265 A269 F274 L356 | A243-L271 HydrophobicContact CB-CD1 3.97Å; I244-L271 HydrophobicContact CD1-CD1 4.42Å; M265-L271 HydrophobicContact SD-CB 3.71Å; M265-L271 HydrophobicContact SD-CG 4.19Å; A269-L271 HydrophobicContact CB-CG 4.38Å; A269-L271 PolarHBondContact O-N 3.11Å; L271-F274 HydrophobicContact CB-CD1 4.24Å; L271-F274 HydrophobicContact CD1-CB 4.17Å; L271-F274 HydrophobicContact CD1-CD1 3.94Å; L271-F274 HydrophobicContact CD1-CG 4.22Å; L271-L356 HydrophobicContact CD1-CD2 3.79Å; L271-L356 HydrophobicContact CD2-CD2 4.14Å | ||
| 272 | T | 81.8 | Confident | 84 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -86.9 | -34.6 | 171.3 | 39.6 | 0 | 0 | 0 | 0 | 112.4 | Q270 R315 | Q270-T272 PolarHBondContact O-N 2.93Å; T272-R315 WeakPolarHBondContact O-CB 3.45Å; T272-R315 PolarHBondContact O-N 3.38Å |
| 273 | N | 87.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 137.9 | -174.6 | 50.7 | -29.3 | 0 | 0 | 0 | 110.5 | C313 P357 | N273-C313 VanDerWaalsContact CA-O 3.23Å; N273-C313 WeakPolarHBondContact CA-O 3.49Å; N273-P357 VanDerWaalsContact O-CD 3.29Å; N273-P357 WeakPolarHBondContact O-CD 3.23Å; N273-P357 WeakPolarHBondContact O-CG 3.29Å |
| 274 | F | 89.9 | Confident | 82.7 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 158.9 | 174.9 | 66.5 | -89.7 | 0 | 0 | 0 | 110.6 | I244 L271 L276 W297 C313 V331 L354 L356 | I244-F274 HydrophobicContact CD1-CD2 4.44Å; I244-F274 HydrophobicContact CD1-CE1 4Å; I244-F274 HydrophobicContact CD1-CE2 3.93Å; I244-F274 HydrophobicContact CD1-CZ 3.68Å; I244-F274 HydrophobicContact CG1-CE2 4.34Å; L271-F274 HydrophobicContact CB-CD1 4.24Å; L271-F274 HydrophobicContact CD1-CB 4.17Å; L271-F274 HydrophobicContact CD1-CD1 3.94Å; L271-F274 HydrophobicContact CD1-CG 4.22Å; F274-L276 HydrophobicContact CE2-CB 4.32Å; F274-W297 HydrophobicContact CE1-CH2 4.4Å; F274-W297 HydrophobicContact CE1-CZ3 4.28Å; F274-C313 HydrophobicContact CD1-CB 4.05Å; F274-C313 HydrophobicContact CD2-CB 4.33Å; F274-C313 HydrophobicContact CE1-CB 3.7Å; F274-C313 HydrophobicContact CE2-CB 4Å; F274-C313 HydrophobicContact CG-CB 4.36Å; F274-C313 HydrophobicContact CZ-CB 3.68Å; F274-C313 PolarHBondContact N-O 2.64Å; F274-C313 VanDerWaalsContact N-O 3.14Å; F274-C313 PolarHBondContact O-N 2.96Å; F274-V331 HydrophobicContact CE1-CG1 4.33Å; F274-V331 HydrophobicContact CZ-CG1 4.02Å; F274-V331 HydrophobicContact CZ-CG2 4.37Å; F274-L354 HydrophobicContact CB-CD1 4.17Å; F274-L354 HydrophobicContact CD2-CD1 3.68Å; F274-L354 HydrophobicContact CE2-CD1 4.47Å; F274-L354 HydrophobicContact CG-CD1 4.23Å; F274-L356 HydrophobicContact CB-CD2 3.89Å |
| 275 | T | 89.8 | Confident | 82.5 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.4 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 109.3 | A310 V311 I312 E355 | T275-A310 HydrophobicContact CG2-CB 4.22Å; T275-V311 WeakPolarHBondContact CA-O 3.24Å; T275-I312 HydrophobicContact CG2-CG1 3.95Å; T275-E355 PolarHBondContact N-O 3.28Å; T275-E355 PolarHBondContact O-N 3.28Å |
| 276 | L | 91.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.7 | 172.7 | -177.4 | 65.6 | 0 | 0 | 0 | 108.9 | L240 I246 I263 F274 V311 W352 | L240-L276 HydrophobicContact CD1-CD1 3.66Å; I246-L276 HydrophobicContact CD1-CD1 4.24Å; I246-L276 HydrophobicContact CD1-CD2 4.07Å; I263-L276 HydrophobicContact CB-CD2 4.5Å; I263-L276 HydrophobicContact CD1-CD2 4.45Å; I263-L276 HydrophobicContact CG1-CD2 3.49Å; I263-L276 VanDerWaalsContact CG1-CD2 3.49Å; I263-L276 HydrophobicContact CG2-CD2 4.09Å; F274-L276 HydrophobicContact CE2-CB 4.32Å; L276-V311 PolarHBondContact N-O 3.49Å; L276-V311 PolarHBondContact O-N 3.06Å; L276-W352 HydrophobicContact CD1-CE3 4.19Å; L276-W352 HydrophobicContact CD2-CE3 3.86Å; L276-W352 HydrophobicContact CD2-CZ3 3.78Å; L276-W352 HydrophobicContact CG-CE3 4.01Å; L276-W352 HydrophobicContact CG-CZ3 4.28Å |
| 277 | R | 91.2 | Very high | 82.7 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 137.2 | 171.1 | -59.8 | -166.5 | -173.4 | -93.7 | -8.6 | 110.7 | I309 A310 W352 K353 E355 | R277-I309 CarbonylContact C-O 3.52Å; R277-I309 VanDerWaalsContact CA-O 3.27Å; R277-I309 WeakPolarHBondContact CA-O 3.1Å; R277-A310 HydrophobicContact CG-CB 3.99Å; R277-W352 CarbonylContact O-C 3.41Å; R277-W352 WeakPolarHBondContact O-CA 3.04Å; R277-K353 HydrophobicContact CB-CB 4.4Å; R277-K353 PolarHBondContact N-O 3.32Å; R277-K353 PolarHBondContact O-N 3.42Å; R277-E355 IonicContact CZ-OE2 2.65Å; R277-E355 VanDerWaalsContact NE-CD 3.3Å; R277-E355 IonicContact NE-OE1 3.14Å; R277-E355 PolarHBondContact NE-OE1 3.38Å; R277-E355 IonicContact NE-OE2 3.42Å; R277-E355 PolarHBondContact NE-OE2 3.5Å; R277-E355 IonicContact NH2-OE2 3.89Å; R277-E355 PolarHBondContact NH2-OE2 3.2Å; R277-E355 VanDerWaalsContact NH2-OE2 3.14Å |
| 278 | A | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | I309 M334 F336 I350 V351 W352 | A278-I309 PolarHBondContact N-O 2.95Å; A278-I309 PolarHBondContact O-N 2.89Å; A278-M334 HydrophobicContact CB-CE 4.29Å; A278-F336 HydrophobicContact CB-CZ 4.1Å; A278-I350 HydrophobicContact CB-CG2 4.02Å; A278-V351 CarbonylContact C-O 3.5Å; A278-V351 WeakPolarHBondContact CA-O 3.17Å; A278-W352 HydrophobicContact CB-CD2 4.24Å; A278-W352 HydrophobicContact CB-CE3 3.73Å; A278-W352 HydrophobicContact CB-CH2 4.13Å; A278-W352 HydrophobicContact CB-CZ3 3.69Å |
| 279 | S | 89 | Confident | 84.2 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.5 | 170.7 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | I350 V351 | S279-I350 WeakPolarHBondContact O-CA 3.35Å; S279-V351 PolarHBondContact N-O 2.75Å; S279-V351 PolarHBondContact O-N 3.13Å |
| 280 | V | 84.1 | Confident | 85 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.7 | -168.1 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | V284 G307 I309 F336 I350 | V280-V284 HydrophobicContact CG1-CB 3.61Å; V280-V284 HydrophobicContact CG1-CG1 3.81Å; V280-V284 WeakPolarHBondContact CG1-O 3.46Å; V280-G307 PolarHBondContact N-O 3.09Å; V280-I309 HydrophobicContact CG2-CD1 3.73Å; V280-F336 HydrophobicContact CG2-CD1 4.06Å; V280-F336 HydrophobicContact CG2-CE1 3.67Å; V280-I350 HydrophobicContact CG1-CG1 4.34Å; V280-I350 HydrophobicContact CG2-CG1 4.47Å; V280-I350 HydrophobicContact CG2-CG2 4.41Å |
| 281 | K | 72.7 | Confident | 85.7 | Confident | 133 Ų | 133 | 53.1 Ų | 53.1 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | trans | -94.8 | 156.4 | 174.6 | -65.1 | -171.1 | 176.7 | -173.7 | 0 | 111 | G283 V284 | K281-G283 PolarHBondContact O-N 2.93Å; K281-V284 PolarHBondContact O-N 3.17Å | ||
| 282 | K | 71.7 | Confident | 86 | Confident | 188 Ų | 188 | 54 Ų | 54 | 82% | 0.817 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 129.9 | 178.8 | -66.4 | -173 | 175 | -172.5 | 0 | 111.5 | Q348 | K282-Q348 PolarHBondContact O-NE2 3.08Å; K282-Q348 PolarHBondContact O-OE1 3.11Å |
| 283 | G | 72.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | -6.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K281 E339 | K281-G283 PolarHBondContact O-N 2.93Å; G283-E339 PolarHBondContact O-N 3.25Å |
| 284 | V | 80.9 | Confident | 85.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.5 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | V280 K281 F336 E337 Q348 I350 I372 | V280-V284 HydrophobicContact CG1-CB 3.61Å; V280-V284 HydrophobicContact CG1-CG1 3.81Å; V280-V284 WeakPolarHBondContact CG1-O 3.46Å; K281-V284 PolarHBondContact O-N 3.17Å; V284-F336 HydrophobicContact CG1-CB 3.62Å; V284-F336 HydrophobicContact CG1-CD1 4.25Å; V284-F336 HydrophobicContact CG1-CG 4.3Å; V284-E337 WeakPolarHBondContact CA-O 3.12Å; V284-Q348 HydrophobicContact CG2-CB 3.7Å; V284-Q348 HydrophobicContact CG2-CG 3.92Å; V284-I350 HydrophobicContact CG1-CD1 4.43Å; V284-I372 HydrophobicContact CG1-CD1 4.48Å; V284-I372 HydrophobicContact CG2-CD1 4.32Å |
| 285 | T | 85.3 | Confident | 85.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 149.1 | 174.2 | 43.9 | 0 | 0 | 0 | 0 | 111 | F336 E337 E339 | T285-F336 CarbonylContact O-C 3.44Å; T285-F336 WeakPolarHBondContact O-CA 3.47Å; T285-F336 VanDerWaalsContact O-CB 3.29Å; T285-F336 WeakPolarHBondContact O-CB 3.42Å; T285-E337 PolarHBondContact N-O 2.87Å; T285-E337 PolarHBondContact O-N 2.95Å; T285-E339 VanDerWaalsContact CG2-CD 3.49Å; T285-E339 HydrophobicContact CG2-CG 3.93Å; T285-E339 VanDerWaalsContact CG2-OE1 3.3Å; T285-E339 WeakPolarHBondContact CG2-OE1 3.27Å |
| 286 | F | 88.3 | Confident | 85.1 | Confident | 34 Ų | 34 | 61 Ų | 61 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.6 | 171.8 | 168.8 | -88.2 | 0 | 0 | 0 | 110.1 | T288 A289 L301 M303 I309 M334 F336 | F286-T288 VanDerWaalsContact CE2-O 3.27Å; F286-T288 WeakPolarHBondContact CE2-O 3.28Å; F286-T288 WeakPolarHBondContact CZ-O 3.36Å; F286-A289 HydrophobicContact CE2-CB 4.12Å; F286-A289 HydrophobicContact CZ-CB 3.82Å; F286-L301 HydrophobicContact CE1-CD1 4.27Å; F286-L301 HydrophobicContact CE1-CD2 3.77Å; F286-L301 HydrophobicContact CZ-CD1 3.86Å; F286-L301 HydrophobicContact CZ-CD2 3.98Å; F286-M303 HydrophobicContact CD1-CE 3.56Å; F286-M303 HydrophobicContact CE1-CE 3.55Å; F286-I309 HydrophobicContact CB-CD1 3.6Å; F286-I309 HydrophobicContact CB-CG1 3.73Å; F286-I309 HydrophobicContact CD1-CG1 4.24Å; F286-I309 HydrophobicContact CD2-CG1 4.15Å; F286-I309 HydrophobicContact CD2-CG2 4.16Å; F286-I309 HydrophobicContact CE1-CG2 4.47Å; F286-I309 HydrophobicContact CE2-CG2 4.09Å; F286-I309 HydrophobicContact CG-CD1 4.15Å; F286-I309 HydrophobicContact CG-CG1 3.77Å; F286-I309 HydrophobicContact CG-CG2 4.34Å; F286-I309 HydrophobicContact CZ-CG2 4.22Å; F286-M334 HydrophobicContact CD2-CE 3.88Å; F286-M334 HydrophobicContact CE2-CB 4.45Å; F286-M334 HydrophobicContact CE2-CE 3.52Å; F286-F336 HydrophobicContact CB-CD1 3.89Å; F286-F336 HydrophobicContact CB-CE1 3.99Å; F286-F336 HydrophobicContact CD2-CD1 4.19Å; F286-F336 AromaticContact CD2-CE1 3.84Å; F286-F336 HydrophobicContact CD2-CE1 3.84Å; F286-F336 HydrophobicContact CD2-CZ 4.09Å; F286-F336 HydrophobicContact CG-CE1 4.41Å |
| 287 | R | 88.7 | Confident | 84.9 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -49 | -175.9 | -177.6 | 174.7 | 172.8 | 142.7 | -7.5 | 112.8 | D335 E337 | R287-D335 WeakPolarHBondContact CB-O 3.44Å; R287-D335 PolarHBondContact N-O 2.83Å; R287-E337 WeakPolarHBondContact CD-OE2 3.29Å; R287-E337 IonicContact CZ-OE2 2.65Å; R287-E337 IonicContact NE-OE2 2.8Å; R287-E337 IonicContact NH1-OE2 3.62Å; R287-E337 PolarHBondContact NH1-OE2 2.89Å |
| 288 | T | 90.3 | Very high | 84.7 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 159.5 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | F286 T290 M334 D335 | F286-T288 VanDerWaalsContact CE2-O 3.27Å; F286-T288 WeakPolarHBondContact CE2-O 3.28Å; F286-T288 WeakPolarHBondContact CZ-O 3.36Å; T288-T290 HydrophobicContact CG2-CG2 4.4Å; T288-M334 WeakPolarHBondContact O-CA 3.44Å; T288-D335 HydrophobicContact CG2-CB 3.89Å; T288-D335 PolarHBondContact N-O 3.24Å; T288-D335 PolarHBondContact O-N 3.37Å |
| 289 | A | 91.4 | Very high | 84.7 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | F286 I299 L301 V311 L332 Q333 M334 | F286-A289 HydrophobicContact CE2-CB 4.12Å; F286-A289 HydrophobicContact CZ-CB 3.82Å; A289-I299 HydrophobicContact CB-CD1 4.13Å; A289-I299 WeakPolarHBondContact O-CD1 3.34Å; A289-L301 HydrophobicContact CB-CD1 4.37Å; A289-V311 HydrophobicContact CB-CG2 4.3Å; A289-L332 HydrophobicContact CB-CD1 4.29Å; A289-Q333 CarbonylContact C-O 3.59Å; A289-Q333 VanDerWaalsContact CA-O 3.31Å; A289-Q333 WeakPolarHBondContact CA-O 3.32Å; A289-M334 HydrophobicContact CB-CG 4.14Å |
| 290 | T | 90.8 | Very high | 84.7 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.6 | -177 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | T288 S292 L332 Q333 | T288-T290 HydrophobicContact CG2-CG2 4.4Å; T290-S292 PolarHBondContact O-N 2.7Å; T290-L332 CarbonylContact O-C 3.59Å; T290-L332 WeakPolarHBondContact O-CA 3.15Å; T290-L332 VanDerWaalsContact O-CB 3.31Å; T290-L332 WeakPolarHBondContact O-CB 3.07Å; T290-Q333 PolarHBondContact N-O 2.75Å; T290-Q333 PolarHBondContact O-N 2.99Å |
| 291 | P | 90 | Very high | 85 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129 | -179.4 | 30.3 | -32.4 | 0 | 0 | 0 | 110 | N293 I299 | P291-N293 PolarHBondContact O-N 2.69Å; P291-N293 VanDerWaalsContact O-N 3.11Å; P291-I299 HydrophobicContact CB-CD1 4.35Å; P291-I299 HydrophobicContact CB-CG1 4.36Å; P291-I299 HydrophobicContact CB-CG2 4.44Å; P291-I299 HydrophobicContact CG-CD1 4.44Å; P291-I299 HydrophobicContact CG-CG1 4.42Å |
| 292 | S | 85.3 | Confident | 85.8 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -63.1 | -21.7 | -178.8 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | T290 V331 L332 | T290-S292 PolarHBondContact O-N 2.7Å; S292-V331 PolarHBondContact N-O 3.04Å; S292-L332 WeakPolarHBondContact OG-CA 3.45Å; S292-L332 PolarHBondContact OG-N 2.99Å |
| 293 | N | 84.1 | Confident | 86.3 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | trans | -150.8 | 106.4 | 165.5 | -174 | -38.3 | 0 | 0 | 0 | 110.2 | P291 L295 L296 W297 | P291-N293 PolarHBondContact O-N 2.69Å; P291-N293 VanDerWaalsContact O-N 3.11Å; N293-L295 PolarHBondContact O-N 2.98Å; N293-L295 WeakPolarHBondContact OD1-CB 2.99Å; N293-L295 PolarHBondContact OD1-N 3.08Å; N293-L296 HydrophobicContact CB-CB 4.23Å; N293-L296 HydrophobicContact CB-CD1 4.17Å; N293-L296 HydrophobicContact CB-CG 4.26Å; N293-L296 PolarHBondContact O-N 3.01Å; N293-L296 VanDerWaalsContact O-N 3.09Å; N293-L296 PolarHBondContact OD1-N 2.9Å; N293-W297 PolarHBondContact O-N 2.85Å | ||
| 294 | S | 84.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.6 | -177.6 | 53.2 | 0 | 0 | 0 | 0 | 115.3 | K316 | S294-K316 PolarHBondContact O-NZ 3.19Å; S294-K316 VanDerWaalsContact O-NZ 3.08Å |
| 295 | L | 80.6 | Confident | 85.6 | Confident | 139 Ų | 139 | 67 Ų | 67 | 73% | 0.728 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -25.6 | 173.2 | -54.7 | 175.8 | 0 | 0 | 0 | 112 | N293 | N293-L295 PolarHBondContact O-N 2.98Å; N293-L295 WeakPolarHBondContact OD1-CB 2.99Å; N293-L295 PolarHBondContact OD1-N 3.08Å |
| 296 | L | 81.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -31.6 | 179.5 | -65 | -179.5 | 0 | 0 | 0 | 112.9 | N293 K316 A317 | N293-L296 HydrophobicContact CB-CB 4.23Å; N293-L296 HydrophobicContact CB-CD1 4.17Å; N293-L296 HydrophobicContact CB-CG 4.26Å; N293-L296 PolarHBondContact O-N 3.01Å; N293-L296 VanDerWaalsContact O-N 3.09Å; N293-L296 PolarHBondContact OD1-N 2.9Å; L296-K316 PolarHBondContact O-N 2.81Å; L296-A317 HydrophobicContact CD2-CB 4.19Å |
| 297 | W | 87.4 | Confident | 83.9 | Confident | 5 Ų | 5 | 72 Ų | 72 | 2% | 0.019 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.9 | -175.3 | -62.4 | 105.1 | 0 | 0 | 0 | 112 | M265 F274 N293 Q314 R315 K316 V331 | M265-W297 HydrophobicContact CE-CH2 3.94Å; M265-W297 HydrophobicContact CE-CZ2 3.84Å; M265-W297 HydrophobicContact SD-CH2 3.97Å; M265-W297 HydrophobicContact SD-CZ2 4.34Å; F274-W297 HydrophobicContact CE1-CH2 4.4Å; F274-W297 HydrophobicContact CE1-CZ3 4.28Å; N293-W297 PolarHBondContact O-N 2.85Å; W297-Q314 WeakPolarHBondContact CA-O 3.06Å; W297-R315 HydrophobicContact CE3-CB 3.91Å; W297-R315 HydrophobicContact CE3-CG 4.46Å; W297-R315 HydrophobicContact CH2-CB 4.03Å; W297-R315 HydrophobicContact CH2-CG 4.27Å; W297-R315 HydrophobicContact CZ3-CB 3.58Å; W297-R315 HydrophobicContact CZ3-CG 4.23Å; W297-K316 PolarHBondContact O-NZ 2.77Å; W297-V331 HydrophobicContact CD2-CG1 3.66Å; W297-V331 HydrophobicContact CE3-CG1 3.95Å; W297-V331 HydrophobicContact CG-CG1 3.95Å; W297-V331 HydrophobicContact CH2-CG1 4.5Å; W297-V331 HydrophobicContact CH2-CG2 4.39Å; W297-V331 HydrophobicContact CZ2-CG1 4.23Å; W297-V331 HydrophobicContact CZ2-CG2 3.82Å; W297-V331 HydrophobicContact CZ3-CG1 4.35Å |
| 298 | D | 89 | Confident | 83.6 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 148.6 | 151.4 | -114.6 | -17.9 | 0 | 0 | 0 | 109.4 | Q314 K316 | D298-Q314 HydrophobicContact CB-CB 4.42Å; D298-Q314 PolarHBondContact N-O 3.11Å; D298-Q314 PolarHBondContact O-N 3.05Å; D298-K316 VanDerWaalsContact OD1-CE 3.29Å; D298-K316 WeakPolarHBondContact OD1-CE 3.08Å; D298-K316 IonicContact OD1-NZ 3.26Å; D298-K316 PolarHBondContact OD1-NZ 3.2Å; D298-K316 WeakPolarHBondContact OD2-CE 3.46Å; D298-K316 IonicContact OD2-NZ 2.78Å; D298-K316 PolarHBondContact OD2-NZ 2.74Å |
| 299 | I | 91.2 | Very high | 83.7 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 16% | 0.164 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.6 | 167 | 62 | 172.2 | 0 | 0 | 0 | 108.9 | A289 P291 V311 I312 L332 | A289-I299 HydrophobicContact CB-CD1 4.13Å; A289-I299 WeakPolarHBondContact O-CD1 3.34Å; P291-I299 HydrophobicContact CB-CD1 4.35Å; P291-I299 HydrophobicContact CB-CG1 4.36Å; P291-I299 HydrophobicContact CB-CG2 4.44Å; P291-I299 HydrophobicContact CG-CD1 4.44Å; P291-I299 HydrophobicContact CG-CG1 4.42Å; I299-V311 HydrophobicContact CB-CG1 3.98Å; I299-V311 HydrophobicContact CG2-CG1 4.21Å; I299-I312 CarbonylContact C-O 3.59Å; I299-I312 VanDerWaalsContact CA-O 3.31Å; I299-I312 WeakPolarHBondContact CA-O 3.28Å; I299-L332 HydrophobicContact CG2-CB 4.3Å; I299-L332 HydrophobicContact CG2-CD2 3.99Å |
| 300 | T | 89 | Confident | 83.6 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.1 | 165.4 | 58 | 0 | 0 | 0 | 0 | 109.4 | I312 | T300-I312 PolarHBondContact N-O 2.96Å; T300-I312 PolarHBondContact O-N 2.83Å |
| 301 | L | 90.7 | Very high | 83.7 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 44% | 0.44 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.5 | -170.9 | -173.6 | 70.2 | 0 | 0 | 0 | 109.4 | F286 A289 M303 I309 V311 | F286-L301 HydrophobicContact CE1-CD1 4.27Å; F286-L301 HydrophobicContact CE1-CD2 3.77Å; F286-L301 HydrophobicContact CZ-CD1 3.86Å; F286-L301 HydrophobicContact CZ-CD2 3.98Å; A289-L301 HydrophobicContact CB-CD1 4.37Å; L301-M303 HydrophobicContact CD2-CE 3.78Å; L301-I309 HydrophobicContact CD1-CG2 3.5Å; L301-I309 VanDerWaalsContact CD1-CG2 3.5Å; L301-V311 HydrophobicContact CD1-CG2 3.86Å |
| 302 | D | 88.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.5 | 175.6 | 171.2 | 36.6 | 0 | 0 | 0 | 108.7 | A310 | D302-A310 HydrophobicContact CB-CB 4.19Å; D302-A310 PolarHBondContact N-O 3.06Å; D302-A310 PolarHBondContact O-N 2.87Å |
| 303 | M | 82.1 | Confident | 84 | Confident | 120 Ų | 120 | 60.3 Ų | 60.3 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 104.2 | -175.9 | -71.1 | -168.5 | 179 | 0 | 0 | 109.7 | F286 L301 | F286-M303 HydrophobicContact CD1-CE 3.56Å; F286-M303 HydrophobicContact CE1-CE 3.55Å; L301-M303 HydrophobicContact CD2-CE 3.78Å |
| 304 | G | 74.1 | Confident | 84.2 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 143.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D306 G307 A308 | G304-D306 PolarHBondContact O-N 2.91Å; G304-G307 PolarHBondContact O-N 2.84Å; G304-G307 VanDerWaalsContact O-N 3.12Å; G304-A308 PolarHBondContact N-O 2.96Å |
| 305 | A | 65.9 | Low | 84.3 | Confident | 111 Ų | 111 | 62 Ų | 62 | 92% | 0.917 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G307 | A305-G307 PolarHBondContact O-N 2.99Š|
| 306 | D | 67 | Low | 84.4 | Confident | 159 Ų | 159 | 60.3 Ų | 60.3 | 85% | 0.85 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 9.4 | 179.6 | -53.5 | -44.7 | 0 | 0 | 0 | 114.3 | G304 A308 | G304-D306 PolarHBondContact O-N 2.91Å; D306-A308 VanDerWaalsContact C-N 3.35Å |
| 307 | G | 69.8 | Low | 83.9 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 23.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V280 G304 A305 | V280-G307 PolarHBondContact N-O 3.09Å; G304-G307 PolarHBondContact O-N 2.84Å; G304-G307 VanDerWaalsContact O-N 3.12Å; A305-G307 PolarHBondContact O-N 2.99Å |
| 308 | A | 83.3 | Confident | 83 | Confident | 29 Ų | 29 | 65 Ų | 65 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G304 D306 | G304-A308 PolarHBondContact N-O 2.96Å; D306-A308 VanDerWaalsContact C-N 3.35Å |
| 309 | I | 91.4 | Very high | 81.8 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.9 | 179.9 | -55.2 | 92.6 | 0 | 0 | 0 | 108.7 | R277 A278 V280 F286 L301 V311 M334 F336 | R277-I309 CarbonylContact C-O 3.52Å; R277-I309 VanDerWaalsContact CA-O 3.27Å; R277-I309 WeakPolarHBondContact CA-O 3.1Å; A278-I309 PolarHBondContact N-O 2.95Å; A278-I309 PolarHBondContact O-N 2.89Å; V280-I309 HydrophobicContact CG2-CD1 3.73Å; F286-I309 HydrophobicContact CB-CD1 3.6Å; F286-I309 HydrophobicContact CB-CG1 3.73Å; F286-I309 HydrophobicContact CD1-CG1 4.24Å; F286-I309 HydrophobicContact CD2-CG1 4.15Å; F286-I309 HydrophobicContact CD2-CG2 4.16Å; F286-I309 HydrophobicContact CE1-CG2 4.47Å; F286-I309 HydrophobicContact CE2-CG2 4.09Å; F286-I309 HydrophobicContact CG-CD1 4.15Å; F286-I309 HydrophobicContact CG-CG1 3.77Å; F286-I309 HydrophobicContact CG-CG2 4.34Å; F286-I309 HydrophobicContact CZ-CG2 4.22Å; L301-I309 HydrophobicContact CD1-CG2 3.5Å; L301-I309 VanDerWaalsContact CD1-CG2 3.5Å; I309-V311 HydrophobicContact CG2-CG2 4.44Å; I309-M334 HydrophobicContact CB-CE 4.49Å; I309-M334 HydrophobicContact CG2-CE 4Å; I309-F336 HydrophobicContact CD1-CE1 4.36Å |
| 310 | A | 90.5 | Very high | 80.1 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T275 R277 D302 | T275-A310 HydrophobicContact CG2-CB 4.22Å; R277-A310 HydrophobicContact CG-CB 3.99Å; D302-A310 HydrophobicContact CB-CB 4.19Å; D302-A310 PolarHBondContact N-O 3.06Å; D302-A310 PolarHBondContact O-N 2.87Å |
| 311 | V | 92.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.9 | 173.8 | -168 | 0 | 0 | 0 | 0 | 108.6 | T275 L276 A289 I299 L301 I309 L332 M334 | T275-V311 WeakPolarHBondContact CA-O 3.24Å; L276-V311 PolarHBondContact N-O 3.49Å; L276-V311 PolarHBondContact O-N 3.06Å; A289-V311 HydrophobicContact CB-CG2 4.3Å; I299-V311 HydrophobicContact CB-CG1 3.98Å; I299-V311 HydrophobicContact CG2-CG1 4.21Å; L301-V311 HydrophobicContact CD1-CG2 3.86Å; I309-V311 HydrophobicContact CG2-CG2 4.44Å; V311-L332 HydrophobicContact CG1-CD1 4.32Å; V311-L332 HydrophobicContact CG1-CD2 3.89Å; V311-M334 HydrophobicContact CG2-CE 3.61Å; V311-M334 HydrophobicContact CG2-SD 3.77Å |
| 312 | I | 91.4 | Very high | 76.6 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121 | 174.5 | -53.5 | 168.8 | 0 | 0 | 0 | 107.1 | T275 I299 T300 | T275-I312 HydrophobicContact CG2-CG1 3.95Å; I299-I312 CarbonylContact C-O 3.59Å; I299-I312 VanDerWaalsContact CA-O 3.31Å; I299-I312 WeakPolarHBondContact CA-O 3.28Å; T300-I312 PolarHBondContact N-O 2.96Å; T300-I312 PolarHBondContact O-N 2.83Å |
| 313 | C | 90.6 | Very high | 75.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.6 | -175.2 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | N273 F274 V331 L332 | N273-C313 VanDerWaalsContact CA-O 3.23Å; N273-C313 WeakPolarHBondContact CA-O 3.49Å; F274-C313 HydrophobicContact CD1-CB 4.05Å; F274-C313 HydrophobicContact CD2-CB 4.33Å; F274-C313 HydrophobicContact CE1-CB 3.7Å; F274-C313 HydrophobicContact CE2-CB 4Å; F274-C313 HydrophobicContact CG-CB 4.36Å; F274-C313 HydrophobicContact CZ-CB 3.68Å; F274-C313 PolarHBondContact N-O 2.64Å; F274-C313 VanDerWaalsContact N-O 3.14Å; F274-C313 PolarHBondContact O-N 2.96Å; C313-V331 HydrophobicContact CB-CG1 4.35Å; C313-L332 WeakPolarHBondContact SG-CD2 3.48Å |
| 314 | Q | 88.9 | Confident | 73.6 | Confident | 125 Ų | 125 | 74 Ų | 74 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.7 | 178.4 | -174.5 | 171.1 | -6.9 | 0 | 0 | 111.3 | W297 D298 K316 | W297-Q314 WeakPolarHBondContact CA-O 3.06Å; D298-Q314 HydrophobicContact CB-CB 4.42Å; D298-Q314 PolarHBondContact N-O 3.11Å; D298-Q314 PolarHBondContact O-N 3.05Å; Q314-K316 PolarHBondContact O-N 3.11Å |
| 315 | R | 86.3 | Confident | 72.4 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 19% | 0.185 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 117.1 | -178 | -170.8 | 167.9 | 60.7 | -174.7 | -7.8 | 110.7 | Q270 T272 W297 A317 | Q270-R315 PolarHBondContact O-NH1 3.15Å; Q270-R315 PolarHBondContact O-NH2 2.63Å; T272-R315 WeakPolarHBondContact O-CB 3.45Å; T272-R315 PolarHBondContact O-N 3.38Å; W297-R315 HydrophobicContact CE3-CB 3.91Å; W297-R315 HydrophobicContact CE3-CG 4.46Å; W297-R315 HydrophobicContact CH2-CB 4.03Å; W297-R315 HydrophobicContact CH2-CG 4.27Å; W297-R315 HydrophobicContact CZ3-CB 3.58Å; W297-R315 HydrophobicContact CZ3-CG 4.23Å; R315-A317 VanDerWaalsContact CG-O 3.26Å; R315-A317 WeakPolarHBondContact CG-O 3.31Å |
| 316 | K | 82.8 | Confident | 71.7 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | trans | -77.1 | -32.6 | 179.9 | -74.8 | 173.6 | 174.9 | 142.4 | 0 | 113.8 | S294 L296 W297 D298 Q314 | S294-K316 PolarHBondContact O-NZ 3.19Å; S294-K316 VanDerWaalsContact O-NZ 3.08Å; L296-K316 PolarHBondContact O-N 2.81Å; W297-K316 PolarHBondContact O-NZ 2.77Å; D298-K316 VanDerWaalsContact OD1-CE 3.29Å; D298-K316 WeakPolarHBondContact OD1-CE 3.08Å; D298-K316 IonicContact OD1-NZ 3.26Å; D298-K316 PolarHBondContact OD1-NZ 3.2Å; D298-K316 WeakPolarHBondContact OD2-CE 3.46Å; D298-K316 IonicContact OD2-NZ 2.78Å; D298-K316 PolarHBondContact OD2-NZ 2.74Å; Q314-K316 PolarHBondContact O-N 3.11Å | ||
| 317 | A | 71 | Confident | 71.9 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -139.4 | 149.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L296 R315 | L296-A317 HydrophobicContact CD2-CB 4.19Å; R315-A317 VanDerWaalsContact CG-O 3.26Å; R315-A317 WeakPolarHBondContact CG-O 3.31Å |
| 318 | P | 66.8 | Low | 72.3 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 75% | 0.753 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 147.3 | 170.3 | -22 | 33.7 | 0 | 0 | 0 | 112.3 | P320 | P318-P320 WeakPolarHBondContact O-CD 3.46Š|
| 319 | I | 65.3 | Low | 72.3 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 123.5 | 179.4 | -60.2 | 155 | 0 | 0 | 0 | 109.4 | M265 L329 | M265-I319 HydrophobicContact CE-CD1 4.21Å; I319-L329 HydrophobicContact CD1-CD1 3.49Å; I319-L329 VanDerWaalsContact CD1-CD1 3.49Å; I319-L329 HydrophobicContact CG1-CD1 4.02Å; I319-L329 HydrophobicContact CG2-CD1 4.25Å |
| 320 | P | 54.8 | Low | 72 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 132 | 177.3 | 28.3 | -32.9 | 0 | 0 | 0 | 112.1 | P318 R323 | P318-P320 WeakPolarHBondContact O-CD 3.46Å; P320-R323 PolarHBondContact O-NE 3.2Å; P320-R323 PolarHBondContact O-NH2 3.31Å |
| 321 | G | 58.2 | Low | 71.9 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 93.2 | 148.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R323 | G321-R323 PolarHBondContact O-N 3.07Å; G321-R323 VanDerWaalsContact O-N 3.11Å |
| 322 | K | 48.3 | Very low | 71.9 | Confident | 228 Ų | 228 | 78.8 Ų | 78.8 | 99% | 0.991 | 42% | 0.419 | S | S | * | . | trans | -67.1 | 103.4 | 163.3 | -77.4 | -172.6 | 176 | -176.4 | 0 | 108.5 | ||||
| 323 | R | 56.4 | Low | 71.9 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | trans | -95 | 156.7 | 176.3 | -60.5 | -177.8 | -174.4 | -152.8 | -1.2 | 110.6 | P320 G321 | P320-R323 PolarHBondContact O-NE 3.2Å; P320-R323 PolarHBondContact O-NH2 3.31Å; G321-R323 PolarHBondContact O-N 3.07Å; G321-R323 VanDerWaalsContact O-N 3.11Å | ||
| 324 | L | 50.7 | Low | 71.9 | Confident | 134 Ų | 134 | 77.5 Ų | 77.5 | 70% | 0.702 | 41% | 0.411 | S | S | * | . | trans | -60.6 | 138.7 | 174.3 | -141.3 | 73.4 | 0 | 0 | 0 | 110.2 | S326 S327 | L324-S326 PolarHBondContact O-N 3.01Å; L324-S326 VanDerWaalsContact O-N 3.11Å; L324-S327 VanDerWaalsContact O-CB 3.28Å; L324-S327 WeakPolarHBondContact O-CB 3.08Å; L324-S327 PolarHBondContact O-N 3.16Å; L324-S327 PolarHBondContact O-OG 2.81Å | ||
| 325 | E | 48.8 | Very low | 72 | Confident | 178 Ų | 178 | 72.3 Ų | 72.3 | 83% | 0.832 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.7 | -172.6 | -61.6 | -175.1 | 140.7 | 0 | 0 | 113.7 | S327 | E325-S327 VanDerWaalsContact C-N 3.32Å; E325-S327 PolarHBondContact O-N 3.08Å |
| 326 | S | 50.6 | Low | 72.1 | Confident | 98 Ų | 98 | 70 Ų | 70 | 69% | 0.685 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.6 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | L324 | L324-S326 PolarHBondContact O-N 3.01Å; L324-S326 VanDerWaalsContact O-N 3.11Å |
| 327 | S | 70.6 | Confident | 72.4 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | trans | -72.7 | 145.7 | -178.5 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | S267 L324 E325 | S267-S327 WeakPolarHBondContact CB-O 3.34Å; S267-S327 WeakPolarHBondContact CB-OG 3.41Å; S267-S327 PolarHBondContact N-O 2.9Å; S267-S327 PolarHBondContact OG-O 3.14Å; S267-S327 VanDerWaalsContact OG-O 3.14Å; S267-S327 PolarHBondContact OG-OG 3.36Å; L324-S327 VanDerWaalsContact O-CB 3.28Å; L324-S327 WeakPolarHBondContact O-CB 3.08Å; L324-S327 PolarHBondContact O-N 3.16Å; L324-S327 PolarHBondContact O-OG 2.81Å; E325-S327 VanDerWaalsContact C-N 3.32Å; E325-S327 PolarHBondContact O-N 3.08Å | ||
| 328 | L | 78.8 | Confident | 72.9 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.9 | 174.8 | -71.6 | 165.4 | 0 | 0 | 0 | 109.7 | V245 R247 L264 M265 A266 | V245-L328 HydrophobicContact CB-CD2 4.22Å; V245-L328 HydrophobicContact CG2-CD2 3.8Å; R247-L328 VanDerWaalsContact NH2-CD1 3.25Å; L264-L328 HydrophobicContact CB-CB 4.17Å; L264-L328 HydrophobicContact CB-CD2 4.29Å; L264-L328 HydrophobicContact CD2-CB 3.71Å; L264-L328 HydrophobicContact CD2-CD1 4.39Å; M265-L328 WeakPolarHBondContact O-CA 3.48Å; A266-L328 HydrophobicContact CB-CD2 4.44Å |
| 329 | L | 83.4 | Confident | 73.3 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.9 | 179.9 | -89.1 | 154.8 | 0 | 0 | 0 | 109.4 | L264 M265 I319 V331 | L264-L329 CarbonylContact C-O 3.56Å; L264-L329 WeakPolarHBondContact CA-O 3.39Å; M265-L329 HydrophobicContact CE-CD1 4.02Å; M265-L329 PolarHBondContact N-O 2.78Å; M265-L329 PolarHBondContact O-N 2.87Å; I319-L329 HydrophobicContact CD1-CD1 3.49Å; I319-L329 VanDerWaalsContact CD1-CD1 3.49Å; I319-L329 HydrophobicContact CG1-CD1 4.02Å; I319-L329 HydrophobicContact CG2-CD1 4.25Å; L329-V331 PolarHBondContact O-N 2.87Å |
| 330 | E | 85.5 | Confident | 73.2 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.5 | 170.8 | -72.8 | 168.5 | -165.8 | 0 | 0 | 110 | L264 | L264-E330 HydrophobicContact CD2-CG 3.54Å; L264-E330 HydrophobicContact CG-CG 3.7Å |
| 331 | V | 88.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -57.3 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I263 M265 F274 S292 W297 C313 L329 | I263-V331 PolarHBondContact O-N 2.85Å; M265-V331 HydrophobicContact CB-CG2 3.86Å; F274-V331 HydrophobicContact CE1-CG1 4.33Å; F274-V331 HydrophobicContact CZ-CG1 4.02Å; F274-V331 HydrophobicContact CZ-CG2 4.37Å; S292-V331 PolarHBondContact N-O 3.04Å; W297-V331 HydrophobicContact CD2-CG1 3.66Å; W297-V331 HydrophobicContact CE3-CG1 3.95Å; W297-V331 HydrophobicContact CG-CG1 3.95Å; W297-V331 HydrophobicContact CH2-CG1 4.5Å; W297-V331 HydrophobicContact CH2-CG2 4.39Å; W297-V331 HydrophobicContact CZ2-CG1 4.23Å; W297-V331 HydrophobicContact CZ2-CG2 3.82Å; W297-V331 HydrophobicContact CZ3-CG1 4.35Å; C313-V331 HydrophobicContact CB-CG1 4.35Å; L329-V331 PolarHBondContact O-N 2.87Å |
| 332 | L | 91.8 | Very high | 73.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 161.3 | -178.4 | 73.9 | 108 | 0 | 0 | 0 | 111.4 | I263 A289 T290 S292 I299 V311 C313 M334 | I263-L332 HydrophobicContact CB-CG 4.09Å; I263-L332 HydrophobicContact CD1-CD1 4.03Å; I263-L332 HydrophobicContact CD1-CG 4.33Å; I263-L332 HydrophobicContact CG1-CD1 4.29Å; I263-L332 HydrophobicContact CG1-CG 4.21Å; I263-L332 PolarHBondContact N-O 2.87Å; A289-L332 HydrophobicContact CB-CD1 4.29Å; T290-L332 CarbonylContact O-C 3.59Å; T290-L332 WeakPolarHBondContact O-CA 3.15Å; T290-L332 VanDerWaalsContact O-CB 3.31Å; T290-L332 WeakPolarHBondContact O-CB 3.07Å; S292-L332 WeakPolarHBondContact OG-CA 3.45Å; S292-L332 PolarHBondContact OG-N 2.99Å; I299-L332 HydrophobicContact CG2-CB 4.3Å; I299-L332 HydrophobicContact CG2-CD2 3.99Å; V311-L332 HydrophobicContact CG1-CD1 4.32Å; V311-L332 HydrophobicContact CG1-CD2 3.89Å; C313-L332 WeakPolarHBondContact SG-CD2 3.48Å; L332-M334 HydrophobicContact CD1-CG 3.35Å; L332-M334 HydrophobicContact CD1-SD 4.11Å |
| 333 | Q | 91.1 | Very high | 73.3 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.1 | 171.4 | -178.9 | -178.6 | -52.1 | 0 | 0 | 108.8 | T260 F261 Y262 A289 T290 D335 | T260-Q333 VanDerWaalsContact CG2-CD 3.41Å; T260-Q333 HydrophobicContact CG2-CG 3.48Å; T260-Q333 VanDerWaalsContact CG2-CG 3.48Å; F261-Q333 CarbonylContact O-C 3.59Å; F261-Q333 WeakPolarHBondContact O-CA 3.46Å; Y262-Q333 HydrophobicContact CD1-CB 4.42Å; Y262-Q333 HydrophobicContact CD1-CG 4.33Å; Y262-Q333 HydrophobicContact CE1-CG 4.14Å; Y262-Q333 VanDerWaalsContact CE1-OE1 3.25Å; A289-Q333 CarbonylContact C-O 3.59Å; A289-Q333 VanDerWaalsContact CA-O 3.31Å; A289-Q333 WeakPolarHBondContact CA-O 3.32Å; T290-Q333 PolarHBondContact N-O 2.75Å; T290-Q333 PolarHBondContact O-N 2.99Å; Q333-D335 PolarHBondContact NE2-OD1 2.91Å; Q333-D335 PolarHBondContact NE2-OD2 2.95Å |
| 334 | M | 91.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.1 | 169.5 | -63.4 | -178.7 | 71.4 | 0 | 0 | 109.6 | F261 I263 A278 F286 T288 A289 I309 V311 L332 F336 W352 | F261-M334 PolarHBondContact N-O 3.38Å; F261-M334 PolarHBondContact O-N 3.19Å; I263-M334 HydrophobicContact CD1-CB 4.28Å; I263-M334 HydrophobicContact CD1-CG 3.88Å; I263-M334 HydrophobicContact CD1-SD 4.19Å; A278-M334 HydrophobicContact CB-CE 4.29Å; F286-M334 HydrophobicContact CD2-CE 3.88Å; F286-M334 HydrophobicContact CE2-CB 4.45Å; F286-M334 HydrophobicContact CE2-CE 3.52Å; T288-M334 WeakPolarHBondContact O-CA 3.44Å; A289-M334 HydrophobicContact CB-CG 4.14Å; I309-M334 HydrophobicContact CB-CE 4.49Å; I309-M334 HydrophobicContact CG2-CE 4Å; V311-M334 HydrophobicContact CG2-CE 3.61Å; V311-M334 HydrophobicContact CG2-SD 3.77Å; L332-M334 HydrophobicContact CD1-CG 3.35Å; L332-M334 HydrophobicContact CD1-SD 4.11Å; M334-F336 HydrophobicContact CB-CE2 3.73Å; M334-F336 HydrophobicContact CB-CZ 4.32Å; M334-F336 HydrophobicContact CE-CE2 4.49Å; M334-F336 HydrophobicContact CE-CZ 3.91Å; M334-W352 HydrophobicContact CB-CH2 4.49Å; M334-W352 HydrophobicContact CE-CZ3 4.43Å; M334-W352 HydrophobicContact SD-CH2 3.89Å; M334-W352 HydrophobicContact SD-CZ3 3.6Å; M334-W352 VanDerWaalsContact SD-CZ3 3.6Å |
| 335 | D | 90.2 | Very high | 73.4 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.2 | 179.5 | -66.4 | -45.1 | 0 | 0 | 0 | 109.8 | I258 T260 R287 T288 Q333 | I258-D335 HydrophobicContact CG2-CB 3.7Å; T260-D335 WeakPolarHBondContact CA-OD1 3.42Å; T260-D335 VanDerWaalsContact CB-OD1 3.24Å; T260-D335 WeakPolarHBondContact CB-OD1 3.44Å; T260-D335 VanDerWaalsContact CG2-OD1 3.32Å; T260-D335 WeakPolarHBondContact CG2-OD1 3.43Å; T260-D335 PolarHBondContact OG1-OD1 3.3Å; R287-D335 WeakPolarHBondContact CB-O 3.44Å; R287-D335 PolarHBondContact N-O 2.83Å; T288-D335 HydrophobicContact CG2-CB 3.89Å; T288-D335 PolarHBondContact N-O 3.24Å; T288-D335 PolarHBondContact O-N 3.37Å; Q333-D335 PolarHBondContact NE2-OD1 2.91Å; Q333-D335 PolarHBondContact NE2-OD2 2.95Å |
| 336 | F | 89.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.8 | 176.2 | -56.9 | -104.2 | 0 | 0 | 0 | 109.5 | I258 A259 F261 A278 V280 V284 T285 F286 I309 M334 I350 W352 | I258-F336 CarbonylContact C-O 3.58Å; I258-F336 WeakPolarHBondContact CA-O 3.32Å; A259-F336 HydrophobicContact CB-CB 4.33Å; A259-F336 PolarHBondContact N-O 3.48Å; A259-F336 PolarHBondContact O-N 3.11Å; F261-F336 AromaticContact CD2-CD2 3.57Å; F261-F336 HydrophobicContact CD2-CD2 3.57Å; F261-F336 AromaticContact CD2-CE2 3.71Å; F261-F336 HydrophobicContact CD2-CE2 3.71Å; F261-F336 AromaticContact CE2-CD2 3.76Å; F261-F336 HydrophobicContact CE2-CD2 3.76Å; F261-F336 HydrophobicContact CE2-CE2 4.11Å; F261-F336 HydrophobicContact CG-CE2 4.37Å; A278-F336 HydrophobicContact CB-CZ 4.1Å; V280-F336 HydrophobicContact CG2-CD1 4.06Å; V280-F336 HydrophobicContact CG2-CE1 3.67Å; V284-F336 HydrophobicContact CG1-CB 3.62Å; V284-F336 HydrophobicContact CG1-CD1 4.25Å; V284-F336 HydrophobicContact CG1-CG 4.3Å; T285-F336 CarbonylContact O-C 3.44Å; T285-F336 WeakPolarHBondContact O-CA 3.47Å; T285-F336 VanDerWaalsContact O-CB 3.29Å; T285-F336 WeakPolarHBondContact O-CB 3.42Å; F286-F336 HydrophobicContact CB-CD1 3.89Å; F286-F336 HydrophobicContact CB-CE1 3.99Å; F286-F336 HydrophobicContact CD2-CD1 4.19Å; F286-F336 AromaticContact CD2-CE1 3.84Å; F286-F336 HydrophobicContact CD2-CE1 3.84Å; F286-F336 HydrophobicContact CD2-CZ 4.09Å; F286-F336 HydrophobicContact CG-CE1 4.41Å; I309-F336 HydrophobicContact CD1-CE1 4.36Å; M334-F336 HydrophobicContact CB-CE2 3.73Å; M334-F336 HydrophobicContact CB-CZ 4.32Å; M334-F336 HydrophobicContact CE-CE2 4.49Å; M334-F336 HydrophobicContact CE-CZ 3.91Å; F336-I350 HydrophobicContact CD1-CD1 3.86Å; F336-I350 HydrophobicContact CD2-CD1 4Å; F336-I350 HydrophobicContact CE1-CD1 3.91Å; F336-I350 HydrophobicContact CE2-CD1 4.05Å; F336-I350 HydrophobicContact CG-CD1 3.91Å; F336-I350 HydrophobicContact CZ-CD1 4Å; F336-W352 AromaticContact CE2-CH2 3.78Å; F336-W352 HydrophobicContact CE2-CH2 3.78Å; F336-W352 HydrophobicContact CE2-CZ2 4.03Å; F336-W352 AromaticContact CZ-CH2 3.86Å; F336-W352 HydrophobicContact CZ-CH2 3.86Å; F336-W352 HydrophobicContact CZ-CZ2 4.18Å |
| 337 | E | 87.4 | Confident | 75.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.6 | -178.9 | -167.7 | 163.2 | 152 | 0 | 0 | 110.5 | V284 T285 R287 | V284-E337 WeakPolarHBondContact CA-O 3.12Å; T285-E337 PolarHBondContact N-O 2.87Å; T285-E337 PolarHBondContact O-N 2.95Å; R287-E337 WeakPolarHBondContact CD-OE2 3.29Å; R287-E337 IonicContact CZ-OE2 2.65Å; R287-E337 IonicContact NE-OE2 2.8Å; R287-E337 IonicContact NH1-OE2 3.62Å; R287-E337 PolarHBondContact NH1-OE2 2.89Å |
| 338 | V | 82.5 | Confident | 75.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.1 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | L253 T256 D257 T374 | L253-V338 HydrophobicContact CB-CG2 4.2Å; L253-V338 HydrophobicContact CD1-CG2 4.01Å; T256-V338 PolarHBondContact N-O 2.88Å; D257-V338 PolarHBondContact O-N 2.88Å; V338-T374 HydrophobicContact CG1-CG2 3.53Å |
| 339 | E | 74.6 | Confident | 75.9 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | trans | -79.8 | 154.1 | 177.8 | -61.8 | -174.1 | 125.5 | 0 | 0 | 112.5 | G283 T285 L341 | G283-E339 PolarHBondContact O-N 3.25Å; T285-E339 VanDerWaalsContact CG2-CD 3.49Å; T285-E339 HydrophobicContact CG2-CG 3.93Å; T285-E339 VanDerWaalsContact CG2-OE1 3.3Å; T285-E339 WeakPolarHBondContact CG2-OE1 3.27Å; E339-L341 PolarHBondContact O-N 3.32Å | ||
| 340 | E | 63.3 | Low | 76.1 | Confident | 142 Ų | 142 | 50.2 Ų | 50.2 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | trans | -82.1 | 98.7 | 174.1 | -175.8 | 161.5 | -139.7 | 0 | 0 | 111.4 | K255 | K255-E340 HydrophobicContact CD-CG 4.35Å; K255-E340 WeakPolarHBondContact CD-OE1 3.2Å; K255-E340 WeakPolarHBondContact CE-OE1 3.41Å; K255-E340 IonicContact NZ-OE1 2.65Å; K255-E340 PolarHBondContact NZ-OE1 3.41Å | ||
| 341 | L | 57.9 | Low | 76.3 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | trans | -77.3 | 142.1 | 170.4 | -69 | 179.1 | 0 | 0 | 0 | 111.9 | E339 S343 V345 | E339-L341 PolarHBondContact O-N 3.32Å; L341-S343 PolarHBondContact O-N 3.45Å; L341-V345 HydrophobicContact CD1-CB 4.03Å; L341-V345 HydrophobicContact CD1-CG2 4.27Å | ||
| 342 | S | 52.5 | Low | 76.5 | Confident | 135 Ų | 135 | 47 Ų | 47 | 94% | 0.944 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.9 | -2.1 | 175 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 343 | S | 53.1 | Low | 76.4 | Confident | 64 Ų | 64 | 51 Ų | 51 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -125.4 | 146.6 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | L341 V345 | L341-S343 PolarHBondContact O-N 3.45Å; S343-V345 VanDerWaalsContact C-N 3.29Å; S343-V345 PolarHBondContact O-N 2.98Å |
| 344 | P | 56.9 | Low | 76.4 | Confident | 125 Ų | 125 | 49 Ų | 49 | 81% | 0.812 | 28% | 0.278 | S | S | * | . | trans | -73.5 | 82.5 | 179.5 | 30.9 | -34.9 | 0 | 0 | 0 | 110.6 | ||||
| 345 | V | 53.4 | Low | 76.2 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | trans | -102.1 | 78.8 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 108 | L341 S343 S347 | L341-V345 HydrophobicContact CD1-CB 4.03Å; L341-V345 HydrophobicContact CD1-CG2 4.27Å; S343-V345 VanDerWaalsContact C-N 3.29Å; S343-V345 PolarHBondContact O-N 2.98Å; V345-S347 PolarHBondContact O-N 3.05Å | ||
| 346 | D | 62 | Low | 75.8 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | trans | -55.2 | -15.9 | -174.5 | -82 | 36.3 | 0 | 0 | 0 | 115.7 | Y373 T374 S463 | D346-Y373 WeakPolarHBondContact O-CA 3.42Å; D346-T374 PolarHBondContact O-N 2.99Å; D346-S463 WeakPolarHBondContact OD2-CB 3.49Å; D346-S463 PolarHBondContact OD2-OG 2.84Å | ||
| 347 | S | 72.1 | Confident | 74.9 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.2 | 175.9 | 83.2 | 0 | 0 | 0 | 0 | 113.5 | V345 R371 I372 Y373 | V345-S347 PolarHBondContact O-N 3.05Å; S347-R371 WeakPolarHBondContact OG-CD 3.25Å; S347-I372 CarbonylContact C-O 3.56Å; S347-I372 VanDerWaalsContact CA-O 3.23Å; S347-I372 WeakPolarHBondContact CA-O 3.42Å; S347-I372 WeakPolarHBondContact CB-O 3.49Å; S347-Y373 VanDerWaalsContact CB-CD1 3.44Å |
| 348 | Q | 80.1 | Confident | 73.7 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.065 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 152.2 | 178.4 | -67 | -63 | -14.8 | 0 | 0 | 110.3 | K282 V284 R371 I372 | K282-Q348 PolarHBondContact O-NE2 3.08Å; K282-Q348 PolarHBondContact O-OE1 3.11Å; V284-Q348 HydrophobicContact CG2-CB 3.7Å; V284-Q348 HydrophobicContact CG2-CG 3.92Å; Q348-R371 CarbonylContact O-C 3.53Å; Q348-R371 VanDerWaalsContact O-CA 3.27Å; Q348-R371 WeakPolarHBondContact O-CA 3.25Å; Q348-I372 PolarHBondContact N-O 2.92Å; Q348-I372 PolarHBondContact O-N 2.96Å |
| 349 | V | 85.3 | Confident | 72.3 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 121.1 | -174.7 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | V351 A369 M370 R371 | V349-V351 HydrophobicContact CG1-CG2 4.28Å; V349-A369 HydrophobicContact CG1-CB 3.79Å; V349-M370 WeakPolarHBondContact CA-O 2.99Å; V349-R371 HydrophobicContact CG2-CB 4.34Å; V349-R371 HydrophobicContact CG2-CG 4.22Å |
| 350 | I | 88.6 | Confident | 71.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.2 | 167.1 | -55.7 | -178.4 | 0 | 0 | 0 | 107.6 | F261 A278 S279 V280 V284 F336 W352 A369 M370 I372 | F261-I350 HydrophobicContact CE2-CD1 3.89Å; F261-I350 HydrophobicContact CZ-CD1 3.87Å; A278-I350 HydrophobicContact CB-CG2 4.02Å; S279-I350 WeakPolarHBondContact O-CA 3.35Å; V280-I350 HydrophobicContact CG1-CG1 4.34Å; V280-I350 HydrophobicContact CG2-CG1 4.47Å; V280-I350 HydrophobicContact CG2-CG2 4.41Å; V284-I350 HydrophobicContact CG1-CD1 4.43Å; F336-I350 HydrophobicContact CD1-CD1 3.86Å; F336-I350 HydrophobicContact CD2-CD1 4Å; F336-I350 HydrophobicContact CE1-CD1 3.91Å; F336-I350 HydrophobicContact CE2-CD1 4.05Å; F336-I350 HydrophobicContact CG-CD1 3.91Å; F336-I350 HydrophobicContact CZ-CD1 4Å; I350-W352 HydrophobicContact CG2-CD2 4.19Å; I350-W352 HydrophobicContact CG2-CG 4.47Å; I350-W352 HydrophobicContact CG2-CZ2 3.9Å; I350-A369 WeakPolarHBondContact O-CA 3.49Å; I350-M370 PolarHBondContact N-O 2.71Å; I350-M370 PolarHBondContact O-N 2.87Å; I350-I372 HydrophobicContact CD1-CD1 3.78Å; I350-I372 HydrophobicContact CG1-CD1 4.17Å |
| 351 | V | 90.5 | Very high | 70.6 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.8 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | A278 S279 V349 E367 A369 | A278-V351 CarbonylContact C-O 3.5Å; A278-V351 WeakPolarHBondContact CA-O 3.17Å; S279-V351 PolarHBondContact N-O 2.75Å; S279-V351 PolarHBondContact O-N 3.13Å; V349-V351 HydrophobicContact CG1-CG2 4.28Å; V351-E367 HydrophobicContact CG1-CG 4.03Å; V351-A369 HydrophobicContact CG2-CB 4.28Å |
| 352 | W | 92.2 | Very high | 70.1 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.1 | -174.6 | -60.9 | 88.2 | 0 | 0 | 0 | 110.2 | L238 L240 I246 F261 L276 R277 A278 M334 F336 I350 E367 G368 | L238-W352 HydrophobicContact CD2-CB 3.98Å; L238-W352 HydrophobicContact CD2-CG 4.14Å; L240-W352 HydrophobicContact CD1-CB 3.85Å; I246-W352 HydrophobicContact CD1-CB 4Å; I246-W352 HydrophobicContact CD1-CD2 3.45Å; I246-W352 VanDerWaalsContact CD1-CD2 3.45Å; I246-W352 HydrophobicContact CD1-CE3 3.4Å; I246-W352 VanDerWaalsContact CD1-CE3 3.4Å; I246-W352 HydrophobicContact CD1-CG 3.74Å; I246-W352 HydrophobicContact CD1-CZ3 3.99Å; I246-W352 HydrophobicContact CG2-CZ2 4.45Å; F261-W352 HydrophobicContact CB-CH2 4.11Å; F261-W352 HydrophobicContact CB-CZ2 4.17Å; F261-W352 HydrophobicContact CD1-CH2 4.24Å; F261-W352 AromaticContact CD1-CZ2 3.45Å; F261-W352 HydrophobicContact CD1-CZ2 3.45Å; F261-W352 VanDerWaalsContact CD1-CZ2 3.45Å; F261-W352 HydrophobicContact CD2-CZ2 4.23Å; F261-W352 AromaticContact CE1-CZ2 3.8Å; F261-W352 HydrophobicContact CE1-CZ2 3.8Å; F261-W352 HydrophobicContact CG-CH2 4.12Å; F261-W352 AromaticContact CG-CZ2 3.7Å; F261-W352 HydrophobicContact CG-CZ2 3.7Å; F261-W352 HydrophobicContact CZ-CZ2 4.34Å; L276-W352 HydrophobicContact CD1-CE3 4.19Å; L276-W352 HydrophobicContact CD2-CE3 3.86Å; L276-W352 HydrophobicContact CD2-CZ3 3.78Å; L276-W352 HydrophobicContact CG-CE3 4.01Å; L276-W352 HydrophobicContact CG-CZ3 4.28Å; R277-W352 CarbonylContact O-C 3.41Å; R277-W352 WeakPolarHBondContact O-CA 3.04Å; A278-W352 HydrophobicContact CB-CD2 4.24Å; A278-W352 HydrophobicContact CB-CE3 3.73Å; A278-W352 HydrophobicContact CB-CH2 4.13Å; A278-W352 HydrophobicContact CB-CZ3 3.69Å; M334-W352 HydrophobicContact CB-CH2 4.49Å; M334-W352 HydrophobicContact CE-CZ3 4.43Å; M334-W352 HydrophobicContact SD-CH2 3.89Å; M334-W352 HydrophobicContact SD-CZ3 3.6Å; M334-W352 VanDerWaalsContact SD-CZ3 3.6Å; F336-W352 AromaticContact CE2-CH2 3.78Å; F336-W352 HydrophobicContact CE2-CH2 3.78Å; F336-W352 HydrophobicContact CE2-CZ2 4.03Å; F336-W352 AromaticContact CZ-CH2 3.86Å; F336-W352 HydrophobicContact CZ-CH2 3.86Å; F336-W352 HydrophobicContact CZ-CZ2 4.18Å; I350-W352 HydrophobicContact CG2-CD2 4.19Å; I350-W352 HydrophobicContact CG2-CG 4.47Å; I350-W352 HydrophobicContact CG2-CZ2 3.9Å; W352-E367 CarbonylContact O-C 3.6Å; W352-E367 VanDerWaalsContact O-CA 3.29Å; W352-E367 WeakPolarHBondContact O-CA 3.5Å; W352-G368 PolarHBondContact N-O 3.16Å; W352-G368 PolarHBondContact O-N 3.44Å |
| 353 | K | 90.6 | Very high | 70.1 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 36% | 0.361 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.1 | -178.5 | -175.1 | -167.2 | 179.8 | -158.3 | 0 | 110.5 | R277 E355 E367 | R277-K353 HydrophobicContact CB-CB 4.4Å; R277-K353 PolarHBondContact N-O 3.32Å; R277-K353 PolarHBondContact O-N 3.42Å; K353-E355 HydrophobicContact CD-CG 4.42Å; K353-E355 WeakPolarHBondContact CE-OE1 3.32Å; K353-E355 IonicContact NZ-OE1 3.46Å; K353-E355 PolarHBondContact NZ-OE1 2.8Å; K353-E367 HydrophobicContact CB-CG 4.35Å |
| 354 | L | 90.5 | Very high | 70.5 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.8 | 176.1 | -179.7 | 61.9 | 0 | 0 | 0 | 110.5 | L240 A243 I244 F274 L356 T366 | L240-L354 HydrophobicContact CB-CB 4.05Å; L240-L354 HydrophobicContact CB-CD2 4.25Å; L240-L354 HydrophobicContact CD1-CB 4.32Å; A243-L354 HydrophobicContact CB-CD2 4.44Å; I244-L354 HydrophobicContact CB-CD2 4.17Å; I244-L354 HydrophobicContact CG1-CD1 3.86Å; I244-L354 HydrophobicContact CG1-CD2 3.75Å; I244-L354 HydrophobicContact CG1-CG 4.46Å; F274-L354 HydrophobicContact CB-CD1 4.17Å; F274-L354 HydrophobicContact CD2-CD1 3.68Å; F274-L354 HydrophobicContact CE2-CD1 4.47Å; F274-L354 HydrophobicContact CG-CD1 4.23Å; L354-L356 HydrophobicContact CD1-CD2 4.17Å; L354-L356 HydrophobicContact CD2-CD2 4.22Å; L354-L356 HydrophobicContact CD2-CG 4.44Å; L354-L356 HydrophobicContact CG-CD2 4.1Å; L354-L356 HydrophobicContact CG-CG 4.24Å; L354-T366 PolarHBondContact N-O 3.39Å |
| 355 | E | 87.5 | Confident | 71.2 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 24% | 0.243 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.6 | 175.5 | -67.9 | 177.5 | 172.2 | 0 | 0 | 108.9 | T275 R277 K353 | T275-E355 PolarHBondContact N-O 3.28Å; T275-E355 PolarHBondContact O-N 3.28Å; R277-E355 IonicContact CZ-OE2 2.65Å; R277-E355 VanDerWaalsContact NE-CD 3.3Å; R277-E355 IonicContact NE-OE1 3.14Å; R277-E355 PolarHBondContact NE-OE1 3.38Å; R277-E355 IonicContact NE-OE2 3.42Å; R277-E355 PolarHBondContact NE-OE2 3.5Å; R277-E355 IonicContact NH2-OE2 3.89Å; R277-E355 PolarHBondContact NH2-OE2 3.2Å; R277-E355 VanDerWaalsContact NH2-OE2 3.14Å; K353-E355 HydrophobicContact CD-CG 4.42Å; K353-E355 WeakPolarHBondContact CE-OE1 3.32Å; K353-E355 IonicContact NZ-OE1 3.46Å; K353-E355 PolarHBondContact NZ-OE1 2.8Å |
| 356 | L | 82.1 | Confident | 72.6 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | trans | -104.6 | 136.5 | -178.4 | -64 | 176.3 | 0 | 0 | 0 | 110.1 | L271 F274 L354 S358 | L271-L356 HydrophobicContact CD1-CD2 3.79Å; L271-L356 HydrophobicContact CD2-CD2 4.14Å; F274-L356 HydrophobicContact CB-CD2 3.89Å; L354-L356 HydrophobicContact CD1-CD2 4.17Å; L354-L356 HydrophobicContact CD2-CD2 4.22Å; L354-L356 HydrophobicContact CD2-CG 4.44Å; L354-L356 HydrophobicContact CG-CD2 4.1Å; L354-L356 HydrophobicContact CG-CG 4.24Å; L356-S358 VanDerWaalsContact C-N 3.28Å; L356-S358 PolarHBondContact O-N 3.32Å | ||
| 357 | P | 70.1 | Confident | 73.8 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 53% | 0.526 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -70.4 | -22.9 | -176.4 | 27.5 | -34.6 | 0 | 0 | 0 | 113.5 | N273 | N273-P357 VanDerWaalsContact O-CD 3.29Å; N273-P357 WeakPolarHBondContact O-CD 3.23Å; N273-P357 WeakPolarHBondContact O-CG 3.29Å |
| 358 | S | 62.2 | Low | 74.6 | Confident | 92 Ų | 92 | 72 Ų | 72 | 64% | 0.643 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -95.7 | 107.9 | 172.5 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | L356 S360 | L356-S358 VanDerWaalsContact C-N 3.28Å; L356-S358 PolarHBondContact O-N 3.32Å; S358-S360 PolarHBondContact O-N 3.43Å |
| 359 | A | 53.1 | Low | 74.9 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 83% | 0.826 | 43% | 0.431 | S | S | * | . | trans | -76 | 56.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | K361 | A359-K361 PolarHBondContact O-N 2.72Š| ||
| 360 | S | 50.5 | Low | 75 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | trans | -76.8 | 107.9 | 167.6 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | S358 T362 | S358-S360 PolarHBondContact O-N 3.43Å; S360-T362 PolarHBondContact O-N 3.03Å | ||
| 361 | K | 50.9 | Low | 74.7 | Confident | 213 Ų | 213 | 80.1 Ų | 80.1 | 93% | 0.926 | 45% | 0.45 | S | S | * | . | trans | -70.3 | 65.4 | 172.9 | -69.1 | -176.5 | 178.2 | 178.7 | 0 | 111.2 | A359 | A359-K361 PolarHBondContact O-N 2.72Š| ||
| 362 | T | 47.1 | Very low | 74.3 | Confident | 101 Ų | 101 | 79 Ų | 79 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | trans | -85.5 | 146.2 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | S360 A364 | S360-T362 PolarHBondContact O-N 3.03Å; T362-A364 PolarHBondContact O-N 2.86Å | ||
| 363 | V | 53.2 | Low | 73.7 | Confident | 155 Ų | 155 | 82.3 Ų | 82.3 | 94% | 0.939 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -73.1 | 7.7 | -165.2 | -171.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 364 | A | 62.2 | Low | 73 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -80.8 | 135 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T362 T366 | T362-A364 PolarHBondContact O-N 2.86Å; A364-T366 PolarHBondContact O-N 3.04Å |
| 365 | K | 70.2 | Confident | 72.3 | Confident | 177 Ų | 177 | 80.2 Ų | 80.2 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | trans | -61.7 | 103.7 | 179.6 | -68.1 | -175.7 | 177.4 | -177.2 | 0 | 111 | G241 E367 | G241-K365 PolarHBondContact N-O 3.04Å; K365-E367 VanDerWaalsContact C-N 3.3Å | ||
| 366 | T | 82.9 | Confident | 71.7 | Confident | 61 Ų | 61 | 85.5 Ų | 85.5 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | trans | -81.9 | -9.6 | 173.8 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | L354 A364 | L354-T366 PolarHBondContact N-O 3.39Å; A364-T366 PolarHBondContact O-N 3.04Å | ||
| 367 | E | 88.9 | Confident | 71.5 | Confident | 114 Ų | 114 | 88 Ų | 88 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.5 | 176.6 | -170.1 | 177.2 | 153.5 | 0 | 0 | 111.1 | V351 W352 K353 K365 | V351-E367 HydrophobicContact CG1-CG 4.03Å; W352-E367 CarbonylContact O-C 3.6Å; W352-E367 VanDerWaalsContact O-CA 3.29Å; W352-E367 WeakPolarHBondContact O-CA 3.5Å; K353-E367 HydrophobicContact CB-CG 4.35Å; K365-E367 VanDerWaalsContact C-N 3.3Å |
| 368 | G | 87.2 | Confident | 72 | Confident | 18 Ų | 18 | 87.7 Ų | 87.7 | 19% | 0.186 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 162.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L238 W352 | L238-G368 WeakPolarHBondContact CD2-O 2.94Å; W352-G368 PolarHBondContact N-O 3.16Å; W352-G368 PolarHBondContact O-N 3.44Å |
| 369 | A | 88.2 | Confident | 73.1 | Confident | 60 Ų | 60 | 84.4 Ų | 84.4 | 50% | 0.496 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V349 I350 V351 | V349-A369 HydrophobicContact CG1-CB 3.79Å; I350-A369 WeakPolarHBondContact O-CA 3.49Å; V351-A369 HydrophobicContact CG2-CB 4.28Å |
| 370 | M | 85.9 | Confident | 74.6 | Confident | 13 Ų | 13 | 81.1 Ų | 81.1 | 6% | 0.064 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.3 | 168.2 | -66.3 | -179.9 | 73.4 | 0 | 0 | 109.3 | S236 L238 I246 T248 F261 V349 I350 | S236-M370 WeakPolarHBondContact OG-CE 2.99Å; L238-M370 HydrophobicContact CB-CG 3.73Å; L238-M370 HydrophobicContact CB-SD 3.64Å; L238-M370 HydrophobicContact CD2-CG 3.81Å; L238-M370 HydrophobicContact CD2-SD 4.23Å; L238-M370 HydrophobicContact CG-CG 4.35Å; I246-M370 HydrophobicContact CB-SD 4.04Å; I246-M370 HydrophobicContact CG2-SD 3.74Å; T248-M370 HydrophobicContact CG2-CE 3.57Å; F261-M370 HydrophobicContact CD1-CE 4.06Å; F261-M370 HydrophobicContact CD1-SD 3.95Å; F261-M370 HydrophobicContact CE1-CB 4.16Å; F261-M370 HydrophobicContact CE1-CE 3.81Å; F261-M370 HydrophobicContact CE1-SD 3.79Å; V349-M370 WeakPolarHBondContact CA-O 2.99Å; I350-M370 PolarHBondContact N-O 2.71Å; I350-M370 PolarHBondContact O-N 2.87Å |
| 371 | R | 83.8 | Confident | 76.4 | Confident | 145 Ų | 145 | 77.7 Ų | 77.7 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.8 | 178.1 | -174.6 | -175.9 | -77 | 167.1 | -3.1 | 109.8 | S347 Q348 V349 Y373 | S347-R371 WeakPolarHBondContact OG-CD 3.25Å; Q348-R371 CarbonylContact O-C 3.53Å; Q348-R371 VanDerWaalsContact O-CA 3.27Å; Q348-R371 WeakPolarHBondContact O-CA 3.25Å; V349-R371 HydrophobicContact CG2-CB 4.34Å; V349-R371 HydrophobicContact CG2-CG 4.22Å; R371-Y373 VanDerWaalsContact CD-OH 3.24Å; R371-Y373 WeakPolarHBondContact CD-OH 3.33Å; R371-Y373 HydrophobicContact CG-CE1 4.32Å; R371-Y373 HydrophobicContact CG-CE2 4.2Å; R371-Y373 PolarHBondContact NH1-OH 3.39Å |
| 372 | I | 81.2 | Confident | 78.4 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141.9 | 168.9 | -58.5 | 166.1 | 0 | 0 | 0 | 106.6 | L253 A259 F261 V284 S347 Q348 I350 | L253-I372 HydrophobicContact CD1-CG2 3.81Å; L253-I372 HydrophobicContact CG-CG2 4.33Å; A259-I372 HydrophobicContact CB-CD1 3.93Å; F261-I372 HydrophobicContact CE2-CD1 4.1Å; F261-I372 HydrophobicContact CZ-CD1 3.91Å; F261-I372 HydrophobicContact CZ-CG1 4.02Å; V284-I372 HydrophobicContact CG1-CD1 4.48Å; V284-I372 HydrophobicContact CG2-CD1 4.32Å; S347-I372 CarbonylContact C-O 3.56Å; S347-I372 VanDerWaalsContact CA-O 3.23Å; S347-I372 WeakPolarHBondContact CA-O 3.42Å; S347-I372 WeakPolarHBondContact CB-O 3.49Å; Q348-I372 PolarHBondContact N-O 2.92Å; Q348-I372 PolarHBondContact O-N 2.96Å; I350-I372 HydrophobicContact CD1-CD1 3.78Å; I350-I372 HydrophobicContact CG1-CD1 4.17Å |
| 373 | Y | 78.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.4 | 171.9 | -65.2 | -86.3 | 0 | 0 | 0 | 110.3 | P252 L253 D346 S347 R371 Y464 | P252-Y373 WeakPolarHBondContact CA-O 3.01Å; L253-Y373 PolarHBondContact N-O 3.09Å; D346-Y373 WeakPolarHBondContact O-CA 3.42Å; S347-Y373 VanDerWaalsContact CB-CD1 3.44Å; R371-Y373 VanDerWaalsContact CD-OH 3.24Å; R371-Y373 WeakPolarHBondContact CD-OH 3.33Å; R371-Y373 HydrophobicContact CG-CE1 4.32Å; R371-Y373 HydrophobicContact CG-CE2 4.2Å; R371-Y373 PolarHBondContact NH1-OH 3.39Å; Y373-Y464 VanDerWaalsContact CG-CB 3.46Å |
| 374 | T | 76.8 | Confident | 82.6 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -113.7 | 139.2 | -179.7 | 57.9 | 0 | 0 | 0 | 0 | 110 | L253 V338 D346 | L253-T374 CarbonylContact O-C 3.54Å; L253-T374 VanDerWaalsContact O-CA 3.27Å; L253-T374 WeakPolarHBondContact O-CA 3.43Å; V338-T374 HydrophobicContact CG1-CG2 3.53Å; D346-T374 PolarHBondContact O-N 2.99Å |
| 375 | T | 75.1 | Confident | 84 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | trans | -135.9 | 149.9 | 178 | -166.6 | 0 | 0 | 0 | 0 | 112.8 | P252 L253 R377 Y464 | P252-T375 HydrophobicContact CB-CG2 3.77Å; P252-T375 HydrophobicContact CG-CG2 3.79Å; L253-T375 PolarHBondContact O-N 2.67Å; T375-R377 VanDerWaalsContact CG2-O 3.3Å; T375-R377 WeakPolarHBondContact CG2-O 3.35Å; T375-R377 PolarHBondContact OG1-N 3.18Å; T375-R377 VanDerWaalsContact OG1-N 3.15Å; T375-R377 PolarHBondContact OG1-O 3.43Å; T375-Y464 HydrophobicContact CG2-CE1 4.48Å | ||
| 376 | Q | 74.8 | Confident | 84.9 | Confident | 162 Ų | 162 | 45.7 Ų | 45.7 | 76% | 0.757 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -97.4 | -17.5 | 169.2 | -56.3 | -173.3 | 25.4 | 0 | 0 | 112.2 | ||
| 377 | R | 78 | Confident | 84.8 | Confident | 120 Ų | 120 | 43.7 Ų | 43.7 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -132.3 | 147.5 | -177.1 | -54.7 | -159.2 | -168.9 | -164.5 | 0.1 | 111.6 | T375 F379 E412 | T375-R377 VanDerWaalsContact CG2-O 3.3Å; T375-R377 WeakPolarHBondContact CG2-O 3.35Å; T375-R377 PolarHBondContact OG1-N 3.18Å; T375-R377 VanDerWaalsContact OG1-N 3.15Å; T375-R377 PolarHBondContact OG1-O 3.43Å; R377-F379 VanDerWaalsContact C-N 3.31Å; R377-F379 HydrophobicContact CB-CD2 4.27Å; R377-F379 HydrophobicContact CB-CE1 4.18Å; R377-F379 HydrophobicContact CB-CE2 3.87Å; R377-F379 HydrophobicContact CB-CZ 3.83Å; R377-F379 HydrophobicContact CG-CZ 4.21Å; R377-F379 PolarHBondContact O-N 3.38Å; R377-E412 VanDerWaalsContact CD-CD 3.42Å; R377-E412 WeakPolarHBondContact CD-OE1 3.48Å; R377-E412 VanDerWaalsContact CD-OE2 3.29Å; R377-E412 WeakPolarHBondContact CD-OE2 3.33Å; R377-E412 IonicContact CZ-OE1 3.63Å; R377-E412 IonicContact NE-OE1 3.87Å; R377-E412 IonicContact NH1-OE1 2.69Å; R377-E412 PolarHBondContact NH1-OE1 2.88Å |
| 378 | D | 80.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 39% | 0.39 | 20% | 0.197 | S | C | . | . | trans | -85.2 | 70.1 | -179 | -67.6 | -39 | 0 | 0 | 0 | 110.8 | K254 E413 | K254-D378 WeakPolarHBondContact CE-OD1 3.06Å; K254-D378 IonicContact NZ-OD1 3.8Å; K254-D378 PolarHBondContact NZ-OD1 3.17Å; K254-D378 VanDerWaalsContact NZ-OD1 3.07Å; K254-D378 IonicContact NZ-OD2 2.81Å; K254-D378 PolarHBondContact NZ-OD2 3.19Å; D378-E413 HydrophobicContact CB-CB 3.98Å; D378-E413 WeakPolarHBondContact O-CB 3.4Å; D378-E413 PolarHBondContact O-N 2.95Å | ||
| 379 | F | 86.3 | Confident | 84.7 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.7 | 176.2 | -54.1 | -71.4 | 0 | 0 | 0 | 112 | R377 A410 V411 E412 Y462 Y464 L465 | R377-F379 VanDerWaalsContact C-N 3.31Å; R377-F379 HydrophobicContact CB-CD2 4.27Å; R377-F379 HydrophobicContact CB-CE1 4.18Å; R377-F379 HydrophobicContact CB-CE2 3.87Å; R377-F379 HydrophobicContact CB-CZ 3.83Å; R377-F379 HydrophobicContact CG-CZ 4.21Å; R377-F379 PolarHBondContact O-N 3.38Å; F379-A410 HydrophobicContact CD1-CB 3.65Å; F379-A410 HydrophobicContact CE1-CB 3.79Å; F379-A410 HydrophobicContact CG-CB 4.23Å; F379-A410 HydrophobicContact CZ-CB 4.46Å; F379-V411 CarbonylContact C-O 3.51Å; F379-V411 WeakPolarHBondContact CA-O 3.16Å; F379-E412 HydrophobicContact CD1-CG 3.52Å; F379-E412 HydrophobicContact CE1-CG 3.65Å; F379-Y462 HydrophobicContact CD2-CE1 4.49Å; F379-Y462 AromaticContact CE2-CE1 3.96Å; F379-Y462 HydrophobicContact CE2-CE1 3.96Å; F379-Y462 HydrophobicContact CZ-CE1 4.35Å; F379-Y464 WeakPolarHBondContact CB-OH 3.37Å; F379-Y464 HydrophobicContact CD2-CE1 4.41Å; F379-Y464 PolarHBondContact N-OH 3Å; F379-Y464 PolarHBondContact O-OH 3.43Å; F379-Y464 VanDerWaalsContact O-OH 3.08Å; F379-L465 HydrophobicContact CB-CD1 3.77Å; F379-L465 HydrophobicContact CG-CD1 4.29Å |
| 380 | V | 84.7 | Confident | 84.9 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -41.3 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | L90 T91 V411 E413 | L90-V380 HydrophobicContact CB-CG1 4.4Å; T91-V380 HydrophobicContact CG2-CG1 4.1Å; V380-V411 PolarHBondContact N-O 2.8Å; V380-E413 HydrophobicContact CG2-CB 4.22Å |
| 381 | G | 88.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 164.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V411 | G381-V411 PolarHBondContact O-N 3.01Å |
| 382 | L | 92.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.7 | -179.4 | -170.5 | 73.8 | 0 | 0 | 0 | 108.5 | F88 T408 V409 A410 V420 F460 Y462 L465 A467 | F88-L382 WeakPolarHBondContact CE1-O 3.28Å; L382-T408 HydrophobicContact CD1-CG2 3.57Å; L382-T408 HydrophobicContact CD2-CG2 4.06Å; L382-T408 HydrophobicContact CG-CG2 3.69Å; L382-V409 CarbonylContact C-O 3.56Å; L382-A410 HydrophobicContact CD1-CB 4.17Å; L382-V420 HydrophobicContact CD1-CG2 3.64Å; L382-F460 HydrophobicContact CD2-CB 4.31Å; L382-Y462 HydrophobicContact CD1-CD1 4.5Å; L382-Y462 HydrophobicContact CD1-CG 4.49Å; L382-L465 HydrophobicContact CB-CB 3.86Å; L382-L465 HydrophobicContact CB-CD1 4.05Å; L382-L465 HydrophobicContact CD1-CD1 4.38Å; L382-L465 HydrophobicContact CD2-CB 4.37Å; L382-A467 HydrophobicContact CB-CB 3.99Å; L382-A467 HydrophobicContact CD2-CB 4.08Å; L382-A467 HydrophobicContact CG-CB 4.15Å; L382-A467 WeakPolarHBondContact O-CB 3.19Å |
| 383 | A | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 115.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F88 L90 L104 L385 V409 | F88-A383 HydrophobicContact CB-CB 4.39Å; F88-A383 HydrophobicContact CD1-CB 3.7Å; F88-A383 HydrophobicContact CD2-CB 4.48Å; F88-A383 HydrophobicContact CE1-CB 4.11Å; F88-A383 HydrophobicContact CG-CB 3.92Å; L90-A383 HydrophobicContact CD2-CB 4.32Å; L104-A383 HydrophobicContact CD2-CB 3.62Å; A383-L385 HydrophobicContact CB-CD2 4.48Å; A383-V409 HydrophobicContact CB-CG2 4.13Å; A383-V409 PolarHBondContact N-O 3.39Å; A383-V409 WeakPolarHBondContact O-CG2 3.08Å; A383-V409 PolarHBondContact O-N 3.38Å |
| 384 | P | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.6 | 167.8 | 29.2 | -31.1 | 0 | 0 | 0 | 110.4 | F88 V406 F460 A467 L469 | F88-P384 HydrophobicContact CE2-CG 4.45Å; P384-V406 HydrophobicContact CB-CG1 3.85Å; P384-F460 HydrophobicContact CB-CD2 3.83Å; P384-F460 HydrophobicContact CB-CE2 3.91Å; P384-F460 HydrophobicContact CB-CG 4.18Å; P384-F460 HydrophobicContact CB-CZ 4.33Å; P384-F460 HydrophobicContact CG-CD2 3.87Å; P384-F460 HydrophobicContact CG-CE2 4.23Å; P384-F460 HydrophobicContact CG-CG 4.44Å; P384-A467 HydrophobicContact CG-CB 4.45Å; P384-L469 HydrophobicContact CB-CB 4.39Å; P384-L469 HydrophobicContact CB-CD1 4.46Å; P384-L469 HydrophobicContact CB-CD2 4.46Å; P384-L469 HydrophobicContact CG-CB 3.74Å; P384-L469 HydrophobicContact CG-CD1 4.15Å; P384-L469 HydrophobicContact CG-CG 4.38Å |
| 385 | L | 91.5 | Very high | 88 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.2 | 179.9 | -48.2 | -178.9 | 0 | 0 | 0 | 109.6 | L104 Y106 T148 A383 V406 R407 V409 | L104-L385 HydrophobicContact CD2-CD2 4.21Å; Y106-L385 HydrophobicContact CD1-CD2 3.57Å; Y106-L385 HydrophobicContact CD2-CB 4.46Å; Y106-L385 HydrophobicContact CD2-CD2 4.34Å; Y106-L385 HydrophobicContact CE1-CD2 3.77Å; Y106-L385 HydrophobicContact CE2-CB 4.25Å; Y106-L385 HydrophobicContact CG-CD2 3.86Å; T148-L385 HydrophobicContact CG2-CD1 4.4Å; A383-L385 HydrophobicContact CB-CD2 4.48Å; L385-V406 WeakPolarHBondContact O-CA 3.22Å; L385-R407 WeakPolarHBondContact CB-O 3.07Å; L385-R407 PolarHBondContact N-O 3.29Å; L385-R407 PolarHBondContact O-N 3.03Å; L385-V409 HydrophobicContact CD1-CG1 3.87Å; L385-V409 HydrophobicContact CD1-CG2 3.92Å; L385-V409 HydrophobicContact CD2-CG2 4.04Å; L385-V409 HydrophobicContact CG-CG2 4Å |
| 386 | V | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 159.4 | -177.4 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | Y106 D388 T389 M404 V406 L469 | Y106-V386 WeakPolarHBondContact CE2-O 3.32Å; Y106-V386 WeakPolarHBondContact OH-CG2 3.1Å; Y106-V386 PolarHBondContact OH-N 2.86Å; V386-D388 WeakPolarHBondContact CB-O 3.18Å; V386-D388 WeakPolarHBondContact CG2-O 3.46Å; V386-T389 HydrophobicContact CG2-CG2 4.29Å; V386-M404 HydrophobicContact CB-CE 4.25Å; V386-M404 HydrophobicContact CG1-CE 4.22Å; V386-V406 HydrophobicContact CG1-CG1 4.18Å; V386-V406 HydrophobicContact CG1-CG2 4.05Å; V386-L469 HydrophobicContact CG1-CD1 3.91Å; V386-L469 HydrophobicContact CG1-CD2 3.7Å; V386-L469 HydrophobicContact CG1-CG 4.43Å; V386-L469 HydrophobicContact CG2-CD1 4.02Å |
| 387 | M | 81.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 20.9 Ų | 20.9 | 9% | 0.094 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -78.8 | -31.5 | -179.2 | -67.7 | -61.6 | -75.1 | 0 | 0 | 113.6 | G109 R110 P405 | G109-M387 VanDerWaalsContact C-CE 3.5Å; G109-M387 PolarHBondContact N-O 2.91Å; R110-M387 VanDerWaalsContact O-CE 3.31Å; R110-M387 WeakPolarHBondContact O-CE 3.31Å; M387-P405 HydrophobicContact CG-CG 3.78Å |
| 388 | D | 85.7 | Confident | 90.5 | Very high | 27 Ų | 27 | 16.5 Ų | 16.5 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | trans | -150.8 | 175.5 | 165.9 | -148.5 | -27.2 | 0 | 0 | 0 | 108.7 | K84 V386 M404 | K84-D388 IonicContact NZ-OD1 2.86Å; K84-D388 PolarHBondContact NZ-OD1 2.9Å; K84-D388 IonicContact NZ-OD2 3.85Å; K84-D388 PolarHBondContact NZ-OD2 2.86Å; V386-D388 WeakPolarHBondContact CB-O 3.18Å; V386-D388 WeakPolarHBondContact CG2-O 3.46Å; D388-M404 HydrophobicContact CB-SD 4.48Å; D388-M404 WeakPolarHBondContact O-CE 3.42Å | ||
| 389 | T | 88.3 | Confident | 91.1 | Very high | 34 Ų | 34 | 14.6 Ų | 14.6 | 21% | 0.209 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -106.1 | 14 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | V386 N472 | V386-T389 HydrophobicContact CG2-CG2 4.29Å; T389-N472 PolarHBondContact O-N 3.18Å |
| 390 | E | 90.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 21 Ų | 21 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.4 | -170.8 | -56.9 | -175.8 | 174.1 | 0 | 0 | 111.3 | N472 F548 R639 | E390-N472 CarbonylContact C-O 3.6Å; E390-N472 WeakPolarHBondContact CA-O 3.43Å; E390-N472 HydrophobicContact CG-CB 4.3Å; E390-F548 WeakPolarHBondContact OE2-CE2 3.31Å; E390-R639 IonicContact OE1-CZ 3.97Å; E390-R639 IonicContact OE1-NH1 2.85Å; E390-R639 PolarHBondContact OE1-NH1 2.98Å; E390-R639 IonicContact OE1-NH2 3.32Å; E390-R639 PolarHBondContact OE1-NH2 2.98Å; E390-R639 IonicContact OE2-CZ 2.69Å; E390-R639 IonicContact OE2-NH1 3.01Å; E390-R639 PolarHBondContact OE2-NH1 3.03Å; E390-R639 IonicContact OE2-NH2 3.59Å |
| 391 | I | 93.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.4 | 179.3 | -61.6 | 175.3 | 0 | 0 | 0 | 108.6 | V402 M404 L434 V443 V445 L471 N472 V473 W474 | I391-V402 HydrophobicContact CG2-CG1 4.14Å; I391-M404 HydrophobicContact CD1-CB 4.29Å; I391-M404 HydrophobicContact CD1-CE 3.9Å; I391-M404 HydrophobicContact CG1-CE 3.99Å; I391-M404 HydrophobicContact CG1-SD 4.19Å; I391-L434 HydrophobicContact CD1-CD1 3.79Å; I391-V443 HydrophobicContact CD1-CG2 3.86Å; I391-V445 HydrophobicContact CG2-CG2 4.01Å; I391-L471 HydrophobicContact CD1-CD1 4.44Å; I391-N472 PolarHBondContact N-O 2.03Å; I391-V473 WeakPolarHBondContact O-CA 3.32Å; I391-W474 PolarHBondContact O-N 2.83Å |
| 392 | L | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 9% | 0.089 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.9 | 170.6 | -80.4 | 71.1 | 0 | 0 | 0 | 109.2 | L16 L41 T394 W474 F534 F548 | L16-L392 HydrophobicContact CD1-CD2 3.64Å; L41-L392 HydrophobicContact CD1-CD2 4.48Å; L41-L392 HydrophobicContact CD2-CD2 4.21Å; L392-T394 HydrophobicContact CB-CG2 4.39Å; L392-T394 PolarHBondContact O-N 3.44Å; L392-W474 HydrophobicContact CG-CB 4.29Å; L392-F534 HydrophobicContact CB-CD1 4.15Å; L392-F534 HydrophobicContact CB-CE1 4.06Å; L392-F534 HydrophobicContact CD2-CD1 4.08Å; L392-F534 HydrophobicContact CD2-CE1 4.27Å; L392-F534 HydrophobicContact CD2-CG 4.26Å; L392-F534 HydrophobicContact CG-CD1 3.98Å; L392-F534 HydrophobicContact CG-CE1 4.31Å; L392-F534 HydrophobicContact CG-CG 4.5Å; L392-F548 HydrophobicContact CD1-CD2 4.16Å; L392-F548 HydrophobicContact CD1-CE1 4.25Å; L392-F548 HydrophobicContact CD1-CE2 3.8Å; L392-F548 HydrophobicContact CD1-CZ 3.85Å; L392-F548 HydrophobicContact CD2-CD1 4.07Å; L392-F548 HydrophobicContact CD2-CE1 3.84Å; L392-F548 HydrophobicContact CD2-CZ 4.24Å |
| 393 | N | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -76.7 | 70.7 | 179.4 | -170.8 | 3.1 | 0 | 0 | 0 | 111.9 | A395 V396 V445 E449 W474 P476 | N393-A395 PolarHBondContact O-N 3.06Å; N393-A395 WeakPolarHBondContact OD1-CB 3.5Å; N393-A395 PolarHBondContact OD1-N 2.03Å; N393-V396 WeakPolarHBondContact ND2-CG2 3.43Å; N393-V445 HydrophobicContact CB-CG2 4.02Å; N393-E449 PolarHBondContact ND2-O 2.73Å; N393-W474 WeakPolarHBondContact CB-O 3.05Å; N393-W474 PolarHBondContact N-O 2.92Å; N393-P476 VanDerWaalsContact O-CD 3.26Å; N393-P476 WeakPolarHBondContact O-CD 3.3Å | ||
| 394 | T | 94.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | trans | -78.1 | -4 | 172.2 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | L392 V396 L397 T398 V402 F534 L560 | L392-T394 HydrophobicContact CB-CG2 4.39Å; L392-T394 PolarHBondContact O-N 3.44Å; T394-V396 VanDerWaalsContact C-N 3.34Å; T394-V396 PolarHBondContact O-N 2.85Å; T394-L397 PolarHBondContact O-N 2.95Å; T394-L397 VanDerWaalsContact O-N 3.1Å; T394-T398 WeakPolarHBondContact O-CB 3.46Å; T394-T398 WeakPolarHBondContact O-CG2 3.16Å; T394-T398 PolarHBondContact O-N 2.96Å; T394-T398 VanDerWaalsContact O-N 3.07Å; T394-T398 PolarHBondContact O-OG1 2.79Å; T394-V402 WeakPolarHBondContact OG1-CG2 3.45Å; T394-F534 HydrophobicContact CG2-CE1 4.36Å; T394-F534 HydrophobicContact CG2-CZ 4.19Å; T394-L560 HydrophobicContact CG2-CD1 4.16Å | ||
| 395 | A | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N393 L397 T398 G399 K400 N446 | N393-A395 PolarHBondContact O-N 3.06Å; N393-A395 WeakPolarHBondContact OD1-CB 3.5Å; N393-A395 PolarHBondContact OD1-N 2.03Å; A395-L397 PolarHBondContact O-N 3.01Å; A395-T398 PolarHBondContact O-N 2.87Å; A395-G399 WeakPolarHBondContact O-CA 3.19Å; A395-G399 PolarHBondContact O-N 3.33Å; A395-K400 VanDerWaalsContact CA-O 3.29Å; A395-K400 WeakPolarHBondContact CA-O 3.22Å; A395-K400 WeakPolarHBondContact CB-O 3.38Å; A395-N446 VanDerWaalsContact CB-C 3.48Å |
| 396 | V | 93.5 | Very high | 92 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.6 | -30.2 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | N393 T394 M475 P476 P596 | N393-V396 WeakPolarHBondContact ND2-CG2 3.43Å; T394-V396 VanDerWaalsContact C-N 3.34Å; T394-V396 PolarHBondContact O-N 2.85Å; V396-M475 HydrophobicContact CG1-CE 4.25Å; V396-M475 HydrophobicContact CG2-CE 3.86Å; V396-M475 HydrophobicContact CG2-SD 4.06Å; V396-P476 HydrophobicContact CB-CG 4.28Å; V396-P596 WeakPolarHBondContact O-CD 3.38Å; V396-P596 WeakPolarHBondContact O-CG 3.42Å |
| 397 | L | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -96.2 | -16.7 | -176.6 | -55.3 | 178.8 | 0 | 0 | 0 | 113.9 | T394 A395 P476 L480 F534 I557 L560 V561 L602 | T394-L397 PolarHBondContact O-N 2.95Å; T394-L397 VanDerWaalsContact O-N 3.1Å; A395-L397 PolarHBondContact O-N 3.01Å; L397-P476 HydrophobicContact CD1-CB 4.11Å; L397-P476 HydrophobicContact CD1-CG 4.27Å; L397-P476 HydrophobicContact CD2-CB 4.32Å; L397-P476 HydrophobicContact CD2-CG 4.21Å; L397-P476 HydrophobicContact CG-CB 4.37Å; L397-P476 HydrophobicContact CG-CG 4.09Å; L397-L480 HydrophobicContact CD2-CD1 3.95Å; L397-L480 HydrophobicContact CD2-CD2 3.94Å; L397-F534 HydrophobicContact CD1-CZ 4.15Å; L397-I557 HydrophobicContact CD1-CB 4.18Å; L397-I557 HydrophobicContact CD1-CD1 3.84Å; L397-I557 HydrophobicContact CD1-CG2 3.87Å; L397-I557 HydrophobicContact CD2-CD1 4.06Å; L397-L560 HydrophobicContact CD1-CD1 4.16Å; L397-V561 HydrophobicContact CB-CG1 4.16Å; L397-V561 HydrophobicContact CD2-CG1 4.3Å; L397-L602 HydrophobicContact CD2-CD1 4.5Å |
| 398 | T | 93.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -130.8 | -14.6 | -169.1 | 62.4 | 0 | 0 | 0 | 0 | 115.6 | T394 A395 K400 L560 | T394-T398 WeakPolarHBondContact O-CB 3.46Å; T394-T398 WeakPolarHBondContact O-CG2 3.16Å; T394-T398 PolarHBondContact O-N 2.96Å; T394-T398 VanDerWaalsContact O-N 3.07Å; T394-T398 PolarHBondContact O-OG1 2.79Å; A395-T398 PolarHBondContact O-N 2.87Å; T398-K400 PolarHBondContact O-N 2.93Å; T398-K400 PolarHBondContact OG1-N 2.85Å; T398-L560 HydrophobicContact CG2-CB 3.94Å; T398-L560 HydrophobicContact CG2-CD2 4.18Å; T398-L560 HydrophobicContact CG2-CG 4.49Å |
| 399 | G | 92.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 72.3 | 4.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A395 | A395-G399 WeakPolarHBondContact O-CA 3.19Å; A395-G399 PolarHBondContact O-N 3.33Å |
| 400 | K | 94 | Very high | 93 | Very high | 159 Ų | 159 | 33.6 Ų | 33.6 | 69% | 0.691 | 18% | 0.176 | S | C | * | . | trans | -104.1 | 128 | -177.7 | -63.2 | -175.3 | 179.4 | -174.3 | 0 | 110.4 | A395 T398 V402 | A395-K400 VanDerWaalsContact CA-O 3.29Å; A395-K400 WeakPolarHBondContact CA-O 3.22Å; A395-K400 WeakPolarHBondContact CB-O 3.38Å; T398-K400 PolarHBondContact O-N 2.93Å; T398-K400 PolarHBondContact OG1-N 2.85Å; K400-V402 PolarHBondContact O-N 2.88Å | ||
| 401 | K | 94.1 | Very high | 93 | Very high | 116 Ų | 116 | 31.8 Ų | 31.8 | 50% | 0.504 | 17% | 0.168 | S | C | . | . | trans | -59.3 | 135.2 | 175.5 | 66.4 | 169.4 | -172.5 | 169.6 | 0 | 111.2 | V403 Y442 V445 | K401-V403 HydrophobicContact CD-CG1 3.66Å; K401-V403 HydrophobicContact CG-CG1 3.92Å; K401-Y442 PolarHBondContact NZ-OH 2.83Å; K401-V445 WeakPolarHBondContact CA-O 3.49Å | ||
| 402 | V | 93.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 32.8 Ų | 32.8 | 24% | 0.242 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.7 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | I391 T394 K400 F444 V445 | I391-V402 HydrophobicContact CG2-CG1 4.14Å; T394-V402 WeakPolarHBondContact OG1-CG2 3.45Å; K400-V402 PolarHBondContact O-N 2.88Å; V402-F444 WeakPolarHBondContact O-CA 3.39Å; V402-F444 VanDerWaalsContact O-CB 3.27Å; V402-F444 WeakPolarHBondContact O-CB 3.44Å; V402-V445 HydrophobicContact CB-CG2 3.88Å; V402-V445 HydrophobicContact CG2-CG2 4.41Å; V402-V445 PolarHBondContact N-O 2.99Å; V402-V445 PolarHBondContact O-N 3.31Å |
| 403 | V | 92.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143 | -176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | K401 Y442 F444 | K401-V403 HydrophobicContact CD-CG1 3.66Å; K401-V403 HydrophobicContact CG-CG1 3.92Å; V403-Y442 HydrophobicContact CB-CD2 4.11Å; V403-Y442 HydrophobicContact CG1-CD2 3.96Å; V403-Y442 HydrophobicContact CG1-CE2 4.06Å; V403-F444 HydrophobicContact CB-CB 4.46Å; V403-F444 HydrophobicContact CG1-CB 3.9Å |
| 404 | M | 90.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.069 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116.5 | 172.7 | -175.3 | 164.7 | 77 | 0 | 0 | 109.1 | V386 D388 I391 Y442 V443 L471 | V386-M404 HydrophobicContact CB-CE 4.25Å; V386-M404 HydrophobicContact CG1-CE 4.22Å; D388-M404 HydrophobicContact CB-SD 4.48Å; D388-M404 WeakPolarHBondContact O-CE 3.42Å; I391-M404 HydrophobicContact CD1-CB 4.29Å; I391-M404 HydrophobicContact CD1-CE 3.9Å; I391-M404 HydrophobicContact CG1-CE 3.99Å; I391-M404 HydrophobicContact CG1-SD 4.19Å; M404-Y442 WeakPolarHBondContact O-CA 3.47Å; M404-Y442 WeakPolarHBondContact O-CB 3.23Å; M404-V443 HydrophobicContact CB-CG2 3.96Å; M404-V443 HydrophobicContact CE-CG2 3.98Å; M404-V443 PolarHBondContact N-O 2.8Å; M404-V443 PolarHBondContact O-N 3.07Å; M404-L471 HydrophobicContact CE-CD1 3.83Å; M404-L471 HydrophobicContact CE-CD2 3.57Å; M404-L471 HydrophobicContact CE-CG 4.34Å |
| 405 | P | 91.2 | Very high | 91.2 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 145.2 | -177.6 | 29.6 | -34.6 | 0 | 0 | 0 | 110.8 | M387 D441 | M387-P405 HydrophobicContact CG-CG 3.78Å; P405-D441 WeakPolarHBondContact CA-O 3.24Å |
| 406 | V | 92.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.3 | 175 | -167.3 | 0 | 0 | 0 | 0 | 108 | P384 L385 V386 D441 V443 F460 | P384-V406 HydrophobicContact CB-CG1 3.85Å; L385-V406 WeakPolarHBondContact O-CA 3.22Å; V386-V406 HydrophobicContact CG1-CG1 4.18Å; V386-V406 HydrophobicContact CG1-CG2 4.05Å; V406-D441 PolarHBondContact N-O 2.8Å; V406-V443 HydrophobicContact CG2-CG1 4.08Å; V406-V443 HydrophobicContact CG2-CG2 4.34Å; V406-F460 HydrophobicContact CB-CZ 4.39Å; V406-F460 HydrophobicContact CG1-CE1 4Å; V406-F460 HydrophobicContact CG1-CZ 3.78Å; V406-F460 HydrophobicContact CG2-CZ 4.32Å |
| 407 | R | 90.9 | Very high | 90.6 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.9 | 162.7 | -74.9 | -166.7 | 179.1 | 168.3 | 6.9 | 109.9 | W112 L385 | W112-R407 PolarHBondContact O-NH1 2.83Å; W112-R407 PolarHBondContact O-NH2 2.81Å; L385-R407 WeakPolarHBondContact CB-O 3.07Å; L385-R407 PolarHBondContact N-O 3.29Å; L385-R407 PolarHBondContact O-N 3.03Å |
| 408 | T | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.3 | -176.8 | -47.4 | 0 | 0 | 0 | 0 | 109.7 | L382 V420 S421 T424 | L382-T408 HydrophobicContact CD1-CG2 3.57Å; L382-T408 HydrophobicContact CD2-CG2 4.06Å; L382-T408 HydrophobicContact CG-CG2 3.69Å; T408-V420 HydrophobicContact CG2-CG2 4.17Å; T408-V420 WeakPolarHBondContact O-CG2 3.25Å; T408-V420 PolarHBondContact O-N 3.28Å; T408-V420 VanDerWaalsContact O-N 3.07Å; T408-S421 PolarHBondContact N-OG 2.56Å; T408-S421 PolarHBondContact O-N 3.24Å; T408-S421 PolarHBondContact O-OG 2.81Å; T408-T424 HydrophobicContact CG2-CG2 3.6Å |
| 409 | V | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L104 L382 A383 L385 V417 T418 | L104-V409 HydrophobicContact CD2-CG2 3.91Å; L382-V409 CarbonylContact C-O 3.56Å; A383-V409 HydrophobicContact CB-CG2 4.13Å; A383-V409 PolarHBondContact N-O 3.39Å; A383-V409 WeakPolarHBondContact O-CG2 3.08Å; A383-V409 PolarHBondContact O-N 3.38Å; L385-V409 HydrophobicContact CD1-CG1 3.87Å; L385-V409 HydrophobicContact CD1-CG2 3.92Å; L385-V409 HydrophobicContact CD2-CG2 4.04Å; L385-V409 HydrophobicContact CG-CG2 4Å; V409-V417 HydrophobicContact CB-CG1 3.7Å; V409-V417 HydrophobicContact CG1-CG1 4.03Å; V409-V417 HydrophobicContact CG2-CG1 3.81Å; V409-T418 CarbonylContact C-O 3.51Å; V409-T418 WeakPolarHBondContact CA-O 3.13Å; V409-T418 WeakPolarHBondContact CB-O 3.48Å |
| 410 | A | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F379 L382 T418 V420 L465 | F379-A410 HydrophobicContact CD1-CB 3.65Å; F379-A410 HydrophobicContact CE1-CB 3.79Å; F379-A410 HydrophobicContact CG-CB 4.23Å; F379-A410 HydrophobicContact CZ-CB 4.46Å; L382-A410 HydrophobicContact CD1-CB 4.17Å; A410-T418 PolarHBondContact N-O 3.38Å; A410-T418 PolarHBondContact O-N 2.74Å; A410-T418 PolarHBondContact O-OG1 2.88Å; A410-V420 HydrophobicContact CB-CG1 3.87Å; A410-V420 HydrophobicContact CB-CG2 4.05Å; A410-L465 HydrophobicContact CB-CD1 4.29Å |
| 411 | V | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.1 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L90 L104 M150 F379 V380 G381 L416 V417 | L90-V411 HydrophobicContact CD1-CB 3.92Å; L90-V411 HydrophobicContact CD1-CG1 3.99Å; L90-V411 HydrophobicContact CD1-CG2 3.95Å; L90-V411 HydrophobicContact CD2-CG2 4.17Å; L104-V411 HydrophobicContact CD1-CG2 4.35Å; L104-V411 HydrophobicContact CD2-CG2 4.13Å; M150-V411 HydrophobicContact CG-CG1 4.32Å; F379-V411 CarbonylContact C-O 3.51Å; F379-V411 WeakPolarHBondContact CA-O 3.16Å; V380-V411 PolarHBondContact N-O 2.8Å; G381-V411 PolarHBondContact O-N 3.01Å; V411-L416 WeakPolarHBondContact CA-O 3.33Å; V411-V417 HydrophobicContact CG2-CG2 4.35Å |
| 412 | E | 88.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 162.7 | -179.3 | -65.7 | -171.1 | -128.6 | 0 | 0 | 112.7 | R377 F379 D414 G415 L416 T418 | R377-E412 VanDerWaalsContact CD-CD 3.42Å; R377-E412 WeakPolarHBondContact CD-OE1 3.48Å; R377-E412 VanDerWaalsContact CD-OE2 3.29Å; R377-E412 WeakPolarHBondContact CD-OE2 3.33Å; R377-E412 IonicContact CZ-OE1 3.63Å; R377-E412 IonicContact NE-OE1 3.87Å; R377-E412 IonicContact NH1-OE1 2.69Å; R377-E412 PolarHBondContact NH1-OE1 2.88Å; F379-E412 HydrophobicContact CD1-CG 3.52Å; F379-E412 HydrophobicContact CE1-CG 3.65Å; E412-D414 VanDerWaalsContact CB-OD1 3.31Å; E412-D414 WeakPolarHBondContact CB-OD1 3.3Å; E412-D414 PolarHBondContact O-N 3.48Å; E412-G415 WeakPolarHBondContact O-CA 3.5Å; E412-G415 PolarHBondContact O-N 3.07Å; E412-L416 HydrophobicContact CB-CB 4.32Å; E412-L416 PolarHBondContact N-O 2.85Å; E412-T418 VanDerWaalsContact OE1-CG2 3.28Å; E412-T418 WeakPolarHBondContact OE1-CG2 3.5Å |
| 413 | E | 84.2 | Confident | 89.3 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.4 | -175 | 177.8 | 70.6 | -132 | 0 | 0 | 113.6 | K98 R102 D378 V380 | K98-E413 IonicContact NZ-OE2 2.8Å; K98-E413 PolarHBondContact NZ-OE2 3.45Å; R102-E413 IonicContact CZ-OE1 3.18Å; R102-E413 IonicContact CZ-OE2 3.94Å; R102-E413 IonicContact NH1-OE1 2.87Å; R102-E413 PolarHBondContact NH1-OE1 2.78Å; R102-E413 VanDerWaalsContact NH1-OE1 3.08Å; R102-E413 IonicContact NH1-OE2 3.24Å; R102-E413 PolarHBondContact NH1-OE2 3.45Å; R102-E413 PolarHBondContact NH2-O 3.37Å; R102-E413 IonicContact NH2-OE1 2.72Å; R102-E413 PolarHBondContact NH2-OE1 2.95Å; D378-E413 HydrophobicContact CB-CB 3.98Å; D378-E413 WeakPolarHBondContact O-CB 3.4Å; D378-E413 PolarHBondContact O-N 2.95Å; V380-E413 HydrophobicContact CG2-CB 4.22Å |
| 414 | D | 83.3 | Confident | 89.2 | Confident | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.8 | 170.3 | 71 | -18.9 | 0 | 0 | 0 | 113.8 | E412 L416 | E412-D414 VanDerWaalsContact CB-OD1 3.31Å; E412-D414 WeakPolarHBondContact CB-OD1 3.3Å; E412-D414 PolarHBondContact O-N 3.48Å; D414-L416 VanDerWaalsContact OD1-CB 3.29Å; D414-L416 WeakPolarHBondContact OD1-CB 3.42Å; D414-L416 PolarHBondContact OD1-N 3.1Å |
| 415 | G | 81.9 | Confident | 89.3 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | trans | 95.6 | 3.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E412 | E412-G415 WeakPolarHBondContact O-CA 3.5Å; E412-G415 PolarHBondContact O-N 3.07Å | ||
| 416 | L | 87.8 | Confident | 89.5 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | trans | -64.5 | 137.7 | 173.8 | -175.2 | 63.4 | 0 | 0 | 0 | 110.7 | V411 E412 D414 T418 | V411-L416 WeakPolarHBondContact CA-O 3.33Å; E412-L416 HydrophobicContact CB-CB 4.32Å; E412-L416 PolarHBondContact N-O 2.85Å; D414-L416 VanDerWaalsContact OD1-CB 3.29Å; D414-L416 WeakPolarHBondContact OD1-CB 3.42Å; D414-L416 PolarHBondContact OD1-N 3.1Å; L416-T418 HydrophobicContact CD2-CG2 4.44Å; L416-T418 HydrophobicContact CG-CG2 4.43Å | ||
| 417 | V | 89.4 | Confident | 89.7 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.7 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | L104 V409 V411 | L104-V417 HydrophobicContact CD1-CG2 4.02Å; V409-V417 HydrophobicContact CB-CG1 3.7Å; V409-V417 HydrophobicContact CG1-CG1 4.03Å; V409-V417 HydrophobicContact CG2-CG1 3.81Å; V411-V417 HydrophobicContact CG2-CG2 4.35Å |
| 418 | T | 88.8 | Confident | 90 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.2 | -178.2 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | V409 A410 E412 L416 | V409-T418 CarbonylContact C-O 3.51Å; V409-T418 WeakPolarHBondContact CA-O 3.13Å; V409-T418 WeakPolarHBondContact CB-O 3.48Å; A410-T418 PolarHBondContact N-O 3.38Å; A410-T418 PolarHBondContact O-N 2.74Å; A410-T418 PolarHBondContact O-OG1 2.88Å; E412-T418 VanDerWaalsContact OE1-CG2 3.28Å; E412-T418 WeakPolarHBondContact OE1-CG2 3.5Å; L416-T418 HydrophobicContact CD2-CG2 4.44Å; L416-T418 HydrophobicContact CG-CG2 4.43Å |
| 419 | D | 88.6 | Confident | 90.1 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.9 | 168 | -148 | -38.6 | 0 | 0 | 0 | 109.9 | R146 S421 | R146-D419 IonicContact CZ-OD2 2.7Å; R146-D419 VanDerWaalsContact NH1-CG 3.28Å; R146-D419 IonicContact NH1-OD2 3Å; R146-D419 PolarHBondContact NH1-OD2 2.97Å; R146-D419 IonicContact NH2-OD2 2.69Å; R146-D419 PolarHBondContact NH2-OD2 2.97Å; D419-S421 VanDerWaalsContact OD1-CB 3.27Å; D419-S421 WeakPolarHBondContact OD1-CB 3.47Å; D419-S421 PolarHBondContact OD1-N 3.4Å; D419-S421 PolarHBondContact OD1-OG 3.21Å |
| 420 | V | 90.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | trans | -133.1 | 8.8 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 112 | L382 T408 A410 D422 Y423 T424 Y462 | L382-V420 HydrophobicContact CD1-CG2 3.64Å; T408-V420 HydrophobicContact CG2-CG2 4.17Å; T408-V420 WeakPolarHBondContact O-CG2 3.25Å; T408-V420 PolarHBondContact O-N 3.28Å; T408-V420 VanDerWaalsContact O-N 3.07Å; A410-V420 HydrophobicContact CB-CG1 3.87Å; A410-V420 HydrophobicContact CB-CG2 4.05Å; V420-D422 VanDerWaalsContact C-N 3.32Å; V420-D422 PolarHBondContact O-N 2.89Å; V420-Y423 CarbonylContact O-C 3.51Å; V420-Y423 PolarHBondContact O-N 3.07Å; V420-T424 HydrophobicContact CB-CG2 4.19Å; V420-T424 HydrophobicContact CG2-CG2 3.73Å; V420-T424 WeakPolarHBondContact O-CG2 3.45Å; V420-T424 PolarHBondContact O-N 2.81Å; V420-Y462 HydrophobicContact CB-CD1 4.28Å; V420-Y462 HydrophobicContact CB-CD2 4.02Å; V420-Y462 HydrophobicContact CB-CE1 4.29Å; V420-Y462 HydrophobicContact CB-CE2 4.03Å; V420-Y462 HydrophobicContact CB-CG 4.15Å; V420-Y462 HydrophobicContact CG1-CD1 4.07Å; V420-Y462 HydrophobicContact CG1-CD2 4.42Å; V420-Y462 HydrophobicContact CG1-CE1 3.68Å; V420-Y462 HydrophobicContact CG1-CE2 4.07Å; V420-Y462 HydrophobicContact CG1-CG 4.42Å; V420-Y462 HydrophobicContact CG2-CD1 4.36Å; V420-Y462 HydrophobicContact CG2-CG 4.23Å | ||
| 421 | S | 89.6 | Confident | 90.2 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -55.1 | -41.6 | -171.7 | -51.7 | 0 | 0 | 0 | 0 | 113.4 | T408 D419 Y423 T424 | T408-S421 PolarHBondContact N-OG 2.56Å; T408-S421 PolarHBondContact O-N 3.24Å; T408-S421 PolarHBondContact O-OG 2.81Å; D419-S421 VanDerWaalsContact OD1-CB 3.27Å; D419-S421 WeakPolarHBondContact OD1-CB 3.47Å; D419-S421 PolarHBondContact OD1-N 3.4Å; D419-S421 PolarHBondContact OD1-OG 3.21Å; S421-Y423 PolarHBondContact O-N 2.89Å; S421-Y423 VanDerWaalsContact O-N 3.07Å; S421-T424 PolarHBondContact O-N 3.18Å; S421-T424 PolarHBondContact O-OG1 3.23Å |
| 422 | D | 88.6 | Confident | 90.2 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 81% | 0.807 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.5 | -9.2 | 179 | -64.8 | -41.9 | 0 | 0 | 0 | 114.1 | V420 | V420-D422 VanDerWaalsContact C-N 3.32Å; V420-D422 PolarHBondContact O-N 2.89Å |
| 423 | Y | 87.4 | Confident | 90.5 | Very high | 178 Ų | 178 | 63.1 Ų | 63.1 | 70% | 0.698 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -128 | 9.7 | -175.3 | -55.7 | -73.5 | 0 | 0 | 0 | 113.3 | V420 S421 | V420-Y423 CarbonylContact O-C 3.51Å; V420-Y423 PolarHBondContact O-N 3.07Å; S421-Y423 PolarHBondContact O-N 2.89Å; S421-Y423 VanDerWaalsContact O-N 3.07Å |
| 424 | T | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | trans | -96.2 | 128.2 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | T408 V420 S421 C440 T461 Y462 | T408-T424 HydrophobicContact CG2-CG2 3.6Å; V420-T424 HydrophobicContact CB-CG2 4.19Å; V420-T424 HydrophobicContact CG2-CG2 3.73Å; V420-T424 WeakPolarHBondContact O-CG2 3.45Å; V420-T424 PolarHBondContact O-N 2.81Å; S421-T424 PolarHBondContact O-N 3.18Å; S421-T424 PolarHBondContact O-OG1 3.23Å; T424-C440 PolarHBondContact O-SG 3.35Å; T424-T461 WeakPolarHBondContact CA-O 3.45Å; T424-Y462 HydrophobicContact CG2-CD2 4.29Å; T424-Y462 HydrophobicContact CG2-CG 4.33Å | ||
| 425 | D | 93.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 154.1 | 165 | -66.5 | -51.9 | 0 | 0 | 0 | 109.9 | C440 F460 T461 | D425-C440 VanDerWaalsContact C-SG 3.56Å; D425-F460 WeakPolarHBondContact O-CA 3.48Å; D425-T461 PolarHBondContact N-O 3.26Å; D425-T461 PolarHBondContact O-N 2.82Å; D425-T461 PolarHBondContact O-OG1 3.07Å |
| 426 | C | 95.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 163.4 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | V436 C440 N459 F460 | C426-V436 HydrophobicContact CB-CG1 4.43Å; C426-V436 WeakPolarHBondContact SG-CG1 3.41Å; C426-C440 HydrophobicContact CB-CB 3.84Å; C426-C440 WeakPolarHBondContact CB-SG 3.39Å; C426-C440 PolarHBondContact N-SG 2.93Å; C426-C440 WeakPolarHBondContact SG-CA 3.44Å; C426-C440 WeakPolarHBondContact SG-CB 3.26Å; C426-C440 CovalentContact SG-SG 2.03Å; C426-C440 PolarHBondContact SG-SG 2.94Å; C426-N459 CarbonylContact C-O 3.51Å; C426-N459 WeakPolarHBondContact CA-O 3.41Å; C426-N459 WeakPolarHBondContact CB-O 3.34Å; C426-F460 HydrophobicContact CB-CD1 3.7Å; C426-F460 HydrophobicContact CB-CE1 3.82Å; C426-F460 HydrophobicContact CB-CG 4.22Å; C426-F460 HydrophobicContact CB-CZ 4.43Å |
| 427 | G | 96 | Very high | 92.7 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 139.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N459 | G427-N459 PolarHBondContact N-O 2.87Å; G427-N459 PolarHBondContact O-N 2.88Å |
| 428 | S | 96.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 150.5 | 170.6 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | D430 L434 | S428-D430 VanDerWaalsContact C-N 3.28Å; S428-D430 PolarHBondContact OG-N 2.91Å; S428-D430 VanDerWaalsContact OG-N 3.16Å; S428-D430 PolarHBondContact OG-O 3.15Å; S428-L434 WeakPolarHBondContact CB-O 3.17Å; S428-L434 PolarHBondContact OG-O 2.84Å |
| 429 | S | 94.5 | Very high | 93 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 49% | 0.49 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.9 | -13.8 | 165.9 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | V457 | S429-V457 VanDerWaalsContact CB-O 3.32Å; S429-V457 WeakPolarHBondContact CB-O 3.35Å; S429-V457 PolarHBondContact N-O 2.83Å; S429-V457 PolarHBondContact OG-O 3.03Å |
| 430 | D | 93.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | trans | -157.5 | 98.6 | -175.3 | -172.6 | -23.5 | 0 | 0 | 0 | 109.8 | S428 D432 V433 L434 K453 M456 | S428-D430 VanDerWaalsContact C-N 3.28Å; S428-D430 PolarHBondContact OG-N 2.91Å; S428-D430 VanDerWaalsContact OG-N 3.16Å; S428-D430 PolarHBondContact OG-O 3.15Å; D430-D432 VanDerWaalsContact C-N 3.28Å; D430-D432 PolarHBondContact O-N 2.83Å; D430-D432 PolarHBondContact OD1-N 2.98Å; D430-V433 PolarHBondContact O-N 3.03Å; D430-V433 PolarHBondContact OD1-N 2.88Å; D430-L434 PolarHBondContact O-N 3.02Å; D430-L434 VanDerWaalsContact O-O 3.11Å; D430-K453 IonicContact OD2-NZ 2.72Å; D430-M456 HydrophobicContact CB-CE 3.68Å; D430-M456 HydrophobicContact CB-SD 3.84Å | ||
| 431 | E | 92.7 | Very high | 93.3 | Very high | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.3 | -178.6 | -67.1 | -168.3 | 179.8 | 0 | 0 | 113.5 | V433 L434 K435 | E431-V433 PolarHBondContact O-N 3.06Å; E431-L434 WeakPolarHBondContact CA-O 3.21Å; E431-K435 WeakPolarHBondContact O-CE 3.49Å; E431-K435 PolarHBondContact O-NZ 2.99Å |
| 432 | D | 91.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 70.9 Ų | 70.9 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -8.1 | 176.5 | -75.1 | -33.9 | 0 | 0 | 0 | 112.7 | D430 E449 | D430-D432 VanDerWaalsContact C-N 3.28Å; D430-D432 PolarHBondContact O-N 2.83Å; D430-D432 PolarHBondContact OD1-N 2.98Å; D432-E449 WeakPolarHBondContact O-CA 3.43Å; D432-E449 VanDerWaalsContact O-CB 3.25Å; D432-E449 WeakPolarHBondContact O-CB 3.41Å |
| 433 | V | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -41.4 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | D430 E431 V445 K451 K453 M456 V473 | D430-V433 PolarHBondContact O-N 3.03Å; D430-V433 PolarHBondContact OD1-N 2.88Å; E431-V433 PolarHBondContact O-N 3.06Å; V433-V445 WeakPolarHBondContact O-CG1 3.43Å; V433-K451 HydrophobicContact CG2-CB 3.69Å; V433-K453 HydrophobicContact CG1-CB 4.02Å; V433-K453 HydrophobicContact CG2-CB 4.41Å; V433-M456 HydrophobicContact CB-CE 3.69Å; V433-M456 HydrophobicContact CG1-CE 3.71Å; V433-M456 HydrophobicContact CG2-CE 4.16Å; V433-V473 HydrophobicContact CG1-CB 3.78Å; V433-V473 HydrophobicContact CG1-CG1 3.92Å; V433-V473 HydrophobicContact CG1-CG2 4.23Å |
| 434 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -147.2 | 134.5 | -177.5 | -171.8 | 64.6 | 0 | 0 | 0 | 112.5 | I391 S428 D430 E431 V443 V445 M456 V458 L471 V473 | I391-L434 HydrophobicContact CD1-CD1 3.79Å; S428-L434 WeakPolarHBondContact CB-O 3.17Å; S428-L434 PolarHBondContact OG-O 2.84Å; D430-L434 PolarHBondContact O-N 3.02Å; D430-L434 VanDerWaalsContact O-O 3.11Å; E431-L434 WeakPolarHBondContact CA-O 3.21Å; L434-V443 HydrophobicContact CD1-CB 4.29Å; L434-V443 HydrophobicContact CD2-CB 4.29Å; L434-V443 HydrophobicContact CD2-CG1 4.49Å; L434-V443 HydrophobicContact CG-CB 4.41Å; L434-V445 HydrophobicContact CD1-CG1 3.91Å; L434-M456 HydrophobicContact CB-CG 3.88Å; L434-M456 HydrophobicContact CD2-CG 3.85Å; L434-V458 HydrophobicContact CD2-CG2 3.76Å; L434-L471 HydrophobicContact CD2-CD1 3.71Å; L434-V473 HydrophobicContact CB-CG2 4.21Å; L434-V473 HydrophobicContact CD1-CG2 4.14Å; L434-V473 HydrophobicContact CD2-CG2 4.15Å; L434-V473 HydrophobicContact CG-CG2 4.41Å | ||
| 435 | K | 95.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 159.8 | 177.5 | -64.8 | -178.7 | 176.9 | 62.3 | 0 | 111.5 | E431 V443 F444 E449 | E431-K435 WeakPolarHBondContact O-CE 3.49Å; E431-K435 PolarHBondContact O-NZ 2.99Å; K435-V443 CarbonylContact O-C 3.56Å; K435-V443 WeakPolarHBondContact O-CA 3.34Å; K435-F444 HydrophobicContact CB-CD1 4.29Å; K435-F444 HydrophobicContact CB-CD2 4.36Å; K435-F444 HydrophobicContact CB-CE1 3.9Å; K435-F444 HydrophobicContact CB-CE2 3.96Å; K435-F444 HydrophobicContact CB-CZ 3.72Å; K435-F444 HydrophobicContact CD-CE2 4.33Å; K435-F444 HydrophobicContact CD-CZ 4.43Å; K435-F444 PolarHBondContact N-O 2.96Å; K435-F444 PolarHBondContact O-N 2.78Å; K435-E449 WeakPolarHBondContact CD-OE1 3.2Å; K435-E449 IonicContact NZ-OE1 3.55Å; K435-E449 PolarHBondContact NZ-OE1 3.03Å |
| 436 | V | 95.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.8 | 179.5 | -156.7 | 0 | 0 | 0 | 0 | 109.5 | C426 V443 V458 | C426-V436 HydrophobicContact CB-CG1 4.43Å; C426-V436 WeakPolarHBondContact SG-CG1 3.41Å; V436-V443 HydrophobicContact CG1-CG1 4.02Å; V436-V443 HydrophobicContact CG2-CG1 4.28Å; V436-V458 HydrophobicContact CG2-CG1 3.74Å |
| 437 | S | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | trans | -65 | 144.5 | 170.2 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | R439 C440 D441 Y442 | S437-R439 PolarHBondContact O-N 3Å; S437-C440 PolarHBondContact O-N 3.49Å; S437-C440 WeakPolarHBondContact OG-CA 3.46Å; S437-C440 PolarHBondContact OG-N 3.14Å; S437-C440 VanDerWaalsContact OG-N 3.14Å; S437-D441 VanDerWaalsContact CB-OD1 3.29Å; S437-D441 WeakPolarHBondContact CB-OD1 3.31Å; S437-D441 PolarHBondContact OG-N 3.1Å; S437-D441 PolarHBondContact OG-OD1 2.96Å; S437-D441 VanDerWaalsContact OG-OD1 3.11Å; S437-Y442 WeakPolarHBondContact CB-O 3.43Å; S437-Y442 PolarHBondContact N-O 2.87Å; S437-Y442 PolarHBondContact OG-N 2.87Å; S437-Y442 PolarHBondContact OG-O 2.9Å | ||
| 438 | D | 92.2 | Very high | 93.9 | Very high | 171 Ų | 171 | 57.3 Ų | 57.3 | 91% | 0.914 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.2 | 175.5 | -42.5 | -40.4 | 0 | 0 | 0 | 114.7 | ||
| 439 | R | 92.3 | Very high | 93.6 | Very high | 202 Ų | 202 | 56.3 Ų | 56.3 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 7.4 | 177.7 | -54.4 | -178 | -175.3 | -176.9 | 1.1 | 113.8 | S437 D441 | S437-R439 PolarHBondContact O-N 3Å; R439-D441 PolarHBondContact O-N 2.83Å |
| 440 | C | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 57.7 | 17.1 | -179.7 | -52.7 | 0 | 0 | 0 | 0 | 116 | T424 D425 C426 S437 F460 | T424-C440 PolarHBondContact O-SG 3.35Å; D425-C440 VanDerWaalsContact C-SG 3.56Å; C426-C440 HydrophobicContact CB-CB 3.84Å; C426-C440 WeakPolarHBondContact CB-SG 3.39Å; C426-C440 PolarHBondContact N-SG 2.93Å; C426-C440 WeakPolarHBondContact SG-CA 3.44Å; C426-C440 WeakPolarHBondContact SG-CB 3.26Å; C426-C440 CovalentContact SG-SG 2.03Å; C426-C440 PolarHBondContact SG-SG 2.94Å; S437-C440 PolarHBondContact O-N 3.49Å; S437-C440 WeakPolarHBondContact OG-CA 3.46Å; S437-C440 PolarHBondContact OG-N 3.14Å; S437-C440 VanDerWaalsContact OG-N 3.14Å; C440-F460 HydrophobicContact CB-CD1 4.42Å; C440-F460 HydrophobicContact CB-CE1 4.1Å |
| 441 | D | 91.6 | Very high | 93 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -84.7 | -17.3 | -179.7 | 67.3 | -50.4 | 0 | 0 | 0 | 113.8 | P405 V406 S437 R439 | P405-D441 WeakPolarHBondContact CA-O 3.24Å; V406-D441 PolarHBondContact N-O 2.8Å; S437-D441 VanDerWaalsContact CB-OD1 3.29Å; S437-D441 WeakPolarHBondContact CB-OD1 3.31Å; S437-D441 PolarHBondContact OG-N 3.1Å; S437-D441 PolarHBondContact OG-OD1 2.96Å; S437-D441 VanDerWaalsContact OG-OD1 3.11Å; R439-D441 PolarHBondContact O-N 2.83Å |
| 442 | Y | 93.7 | Very high | 93.1 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.2 | 169.2 | 62.8 | -88.3 | 0 | 0 | 0 | 114.5 | K401 V403 M404 S437 F444 | K401-Y442 PolarHBondContact NZ-OH 2.83Å; V403-Y442 HydrophobicContact CB-CD2 4.11Å; V403-Y442 HydrophobicContact CG1-CD2 3.96Å; V403-Y442 HydrophobicContact CG1-CE2 4.06Å; M404-Y442 WeakPolarHBondContact O-CA 3.47Å; M404-Y442 WeakPolarHBondContact O-CB 3.23Å; S437-Y442 WeakPolarHBondContact CB-O 3.43Å; S437-Y442 PolarHBondContact N-O 2.87Å; S437-Y442 PolarHBondContact OG-N 2.87Å; S437-Y442 PolarHBondContact OG-O 2.9Å; Y442-F444 HydrophobicContact CD2-CB 4.05Å; Y442-F444 AromaticContact CD2-CD1 3.76Å; Y442-F444 HydrophobicContact CD2-CD1 3.76Å; Y442-F444 HydrophobicContact CD2-CG 4.26Å; Y442-F444 HydrophobicContact CE2-CB 4.19Å; Y442-F444 AromaticContact CE2-CD1 3.48Å; Y442-F444 HydrophobicContact CE2-CD1 3.48Å; Y442-F444 VanDerWaalsContact CE2-CD1 3.48Å; Y442-F444 HydrophobicContact CE2-CE1 4.07Å; Y442-F444 HydrophobicContact CE2-CG 4Å |
| 443 | V | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 152.1 | 162.4 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | I391 M404 V406 L434 K435 V436 V458 L471 | I391-V443 HydrophobicContact CD1-CG2 3.86Å; M404-V443 HydrophobicContact CB-CG2 3.96Å; M404-V443 HydrophobicContact CE-CG2 3.98Å; M404-V443 PolarHBondContact N-O 2.8Å; M404-V443 PolarHBondContact O-N 3.07Å; V406-V443 HydrophobicContact CG2-CG1 4.08Å; V406-V443 HydrophobicContact CG2-CG2 4.34Å; L434-V443 HydrophobicContact CD1-CB 4.29Å; L434-V443 HydrophobicContact CD2-CB 4.29Å; L434-V443 HydrophobicContact CD2-CG1 4.49Å; L434-V443 HydrophobicContact CG-CB 4.41Å; K435-V443 CarbonylContact O-C 3.56Å; K435-V443 WeakPolarHBondContact O-CA 3.34Å; V436-V443 HydrophobicContact CG1-CG1 4.02Å; V436-V443 HydrophobicContact CG2-CG1 4.28Å; V443-V458 HydrophobicContact CG1-CG2 4.24Å; V443-L471 HydrophobicContact CG2-CD1 3.92Å |
| 444 | F | 95.8 | Very high | 93.2 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 159.6 | -177.6 | 70 | -83 | 0 | 0 | 0 | 114.7 | V402 V403 K435 Y442 N446 | V402-F444 WeakPolarHBondContact O-CA 3.39Å; V402-F444 VanDerWaalsContact O-CB 3.27Å; V402-F444 WeakPolarHBondContact O-CB 3.44Å; V403-F444 HydrophobicContact CB-CB 4.46Å; V403-F444 HydrophobicContact CG1-CB 3.9Å; K435-F444 HydrophobicContact CB-CD1 4.29Å; K435-F444 HydrophobicContact CB-CD2 4.36Å; K435-F444 HydrophobicContact CB-CE1 3.9Å; K435-F444 HydrophobicContact CB-CE2 3.96Å; K435-F444 HydrophobicContact CB-CZ 3.72Å; K435-F444 HydrophobicContact CD-CE2 4.33Å; K435-F444 HydrophobicContact CD-CZ 4.43Å; K435-F444 PolarHBondContact N-O 2.96Å; K435-F444 PolarHBondContact O-N 2.78Å; Y442-F444 HydrophobicContact CD2-CB 4.05Å; Y442-F444 AromaticContact CD2-CD1 3.76Å; Y442-F444 HydrophobicContact CD2-CD1 3.76Å; Y442-F444 HydrophobicContact CD2-CG 4.26Å; Y442-F444 HydrophobicContact CE2-CB 4.19Å; Y442-F444 AromaticContact CE2-CD1 3.48Å; Y442-F444 HydrophobicContact CE2-CD1 3.48Å; Y442-F444 VanDerWaalsContact CE2-CD1 3.48Å; Y442-F444 HydrophobicContact CE2-CE1 4.07Å; Y442-F444 HydrophobicContact CE2-CG 4Å; F444-N446 HydrophobicContact CD2-CB 4.28Å; F444-N446 HydrophobicContact CE2-CB 4.22Å |
| 445 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.1 | 163.2 | -65.8 | 0 | 0 | 0 | 0 | 109 | I391 N393 K401 V402 V433 L434 E449 V473 | I391-V445 HydrophobicContact CG2-CG2 4.01Å; N393-V445 HydrophobicContact CB-CG2 4.02Å; K401-V445 WeakPolarHBondContact CA-O 3.49Å; V402-V445 HydrophobicContact CB-CG2 3.88Å; V402-V445 HydrophobicContact CG2-CG2 4.41Å; V402-V445 PolarHBondContact N-O 2.99Å; V402-V445 PolarHBondContact O-N 3.31Å; V433-V445 WeakPolarHBondContact O-CG1 3.43Å; L434-V445 HydrophobicContact CD1-CG1 3.91Å; V445-E449 HydrophobicContact CB-CG 4.4Å; V445-E449 HydrophobicContact CG1-CG 4.18Å; V445-V473 HydrophobicContact CG1-CG1 4.16Å |
| 446 | N | 93.5 | Very high | 92.9 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | trans | -113.2 | -1.2 | -177.4 | 68.7 | 37.8 | 0 | 0 | 0 | 113.8 | A395 F444 K448 E449 L597 | A395-N446 VanDerWaalsContact CB-C 3.48Å; F444-N446 HydrophobicContact CD2-CB 4.28Å; F444-N446 HydrophobicContact CE2-CB 4.22Å; N446-K448 VanDerWaalsContact OD1-CB 3.25Å; N446-K448 WeakPolarHBondContact OD1-CB 3.41Å; N446-K448 VanDerWaalsContact OD1-CG 3.25Å; N446-K448 WeakPolarHBondContact OD1-CG 3.46Å; N446-K448 PolarHBondContact OD1-N 2.83Å; N446-E449 PolarHBondContact N-OE1 2.84Å; N446-E449 PolarHBondContact N-OE2 2.72Å; N446-E449 PolarHBondContact OD1-OE1 3.5Å; N446-L597 WeakPolarHBondContact O-CD1 3.25Å | ||
| 447 | G | 89.9 | Confident | 92.9 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 90 | 4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E449 L597 | G447-E449 VanDerWaalsContact C-N 3.33Å; G447-E449 PolarHBondContact N-OE2 2.89Å; G447-L597 VanDerWaalsContact C-CD1 3.41Å; G447-L597 VanDerWaalsContact O-CD1 3.29Å; G447-L597 WeakPolarHBondContact O-CD1 3.33Å |
| 448 | K | 90.2 | Very high | 92.9 | Very high | 161 Ų | 161 | 56.5 Ų | 56.5 | 70% | 0.7 | 26% | 0.264 | S | S | * | . | trans | -81.1 | -18.4 | 162.2 | -64.4 | 178.7 | 179.7 | -175.1 | 0 | 112 | N446 M450 | N446-K448 VanDerWaalsContact OD1-CB 3.25Å; N446-K448 WeakPolarHBondContact OD1-CB 3.41Å; N446-K448 VanDerWaalsContact OD1-CG 3.25Å; N446-K448 WeakPolarHBondContact OD1-CG 3.46Å; N446-K448 PolarHBondContact OD1-N 2.83Å; K448-M450 PolarHBondContact O-N 2.98Å | ||
| 449 | E | 90.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -68.7 | 119.2 | 176 | -57.6 | 75.4 | -155.2 | 0 | 0 | 109.5 | N393 D432 K435 V445 N446 G447 | N393-E449 PolarHBondContact ND2-O 2.73Å; D432-E449 WeakPolarHBondContact O-CA 3.43Å; D432-E449 VanDerWaalsContact O-CB 3.25Å; D432-E449 WeakPolarHBondContact O-CB 3.41Å; K435-E449 WeakPolarHBondContact CD-OE1 3.2Å; K435-E449 IonicContact NZ-OE1 3.55Å; K435-E449 PolarHBondContact NZ-OE1 3.03Å; V445-E449 HydrophobicContact CB-CG 4.4Å; V445-E449 HydrophobicContact CG1-CG 4.18Å; N446-E449 PolarHBondContact N-OE1 2.84Å; N446-E449 PolarHBondContact N-OE2 2.72Å; N446-E449 PolarHBondContact OD1-OE1 3.5Å; G447-E449 VanDerWaalsContact C-N 3.33Å; G447-E449 PolarHBondContact N-OE2 2.89Å | ||
| 450 | M | 84.3 | Confident | 93.2 | Very high | 124 Ų | 124 | 41.6 Ų | 41.6 | 61% | 0.611 | 20% | 0.2 | S | C | * | . | trans | -101.3 | -2.6 | -174.1 | -72.1 | -57.7 | -63.3 | 0 | 0 | 113.8 | K448 M475 L478 | K448-M450 PolarHBondContact O-N 2.98Å; M450-M475 HydrophobicContact SD-CE 4.39Å; M450-L478 HydrophobicContact CE-CD1 4.04Å | ||
| 451 | K | 91 | Very high | 93.1 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 39% | 0.391 | 22% | 0.215 | S | C | . | . | trans | -127.4 | 158.6 | -177 | -80.5 | 168.6 | 165.8 | -89.7 | 0 | 110.4 | V433 E537 | V433-K451 HydrophobicContact CG2-CB 3.69Å; K451-E537 IonicContact NZ-OE1 3.99Å; K451-E537 PolarHBondContact NZ-OE1 3.34Å; K451-E537 IonicContact NZ-OE2 3.86Å; K451-E537 PolarHBondContact NZ-OE2 3.26Å | ||
| 452 | G | 93.6 | Very high | 93 | Very high | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -123.3 | 153.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V473 E537 | G452-V473 CarbonylContact C-O 3.44Å; G452-V473 VanDerWaalsContact C-O 3.29Å; G452-V473 WeakPolarHBondContact CA-O 3.26Å; G452-E537 WeakPolarHBondContact O-CB 3.23Å; G452-E537 PolarHBondContact O-N 2.66Å | ||
| 453 | K | 94.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 27% | 0.274 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 137.8 | -176.5 | -172.2 | 158.8 | 164.6 | -171.2 | 0 | 111.9 | D430 V433 M456 V473 E537 | D430-K453 IonicContact OD2-NZ 2.72Å; V433-K453 HydrophobicContact CG1-CB 4.02Å; V433-K453 HydrophobicContact CG2-CB 4.41Å; K453-M456 HydrophobicContact CB-CE 3.78Å; K453-M456 HydrophobicContact CD-CE 3.67Å; K453-M456 HydrophobicContact CG-CE 3.99Å; K453-V473 PolarHBondContact N-O 3.24Å; K453-V473 PolarHBondContact O-N 3.3Å; K453-E537 WeakPolarHBondContact CA-O 3.25Å |
| 454 | V | 94.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 142.3 | 172.5 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | M456 N472 A536 E537 Q538 A546 | V454-M456 VanDerWaalsContact C-N 3.33Å; V454-M456 PolarHBondContact O-N 2.9Å; V454-N472 WeakPolarHBondContact CA-OD1 3.35Å; V454-N472 VanDerWaalsContact CG1-OD1 3.26Å; V454-N472 WeakPolarHBondContact CG1-OD1 3.41Å; V454-A536 HydrophobicContact CG2-CB 3.67Å; V454-E537 PolarHBondContact N-O 3.32Å; V454-Q538 HydrophobicContact CG2-CG 4.46Å; V454-A546 HydrophobicContact CG2-CB 3.65Å |
| 455 | K | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 43.2 Ų | 43.2 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 45.8 | -172.7 | -52.2 | -176.1 | -172.3 | 171.9 | 0 | 114 | V457 E470 L471 N472 E539 | K455-V457 PolarHBondContact O-N 3.15Å; K455-E470 HydrophobicContact CB-CG 4.5Å; K455-E470 WeakPolarHBondContact CD-OE2 3.44Å; K455-E470 WeakPolarHBondContact CG-OE2 3.48Å; K455-L471 CarbonylContact C-O 3.52Å; K455-L471 PolarHBondContact N-O 3.22Å; K455-N472 PolarHBondContact N-OD1 3.25Å; K455-E539 WeakPolarHBondContact CE-OE2 3.37Å; K455-E539 IonicContact NZ-OE2 3.07Å; K455-E539 PolarHBondContact NZ-OE2 2.84Å |
| 456 | M | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 119.6 | 164.4 | 179.8 | 49.1 | 52.2 | 0 | 0 | 109.7 | D430 V433 L434 K453 V454 E470 L471 V473 | D430-M456 HydrophobicContact CB-CE 3.68Å; D430-M456 HydrophobicContact CB-SD 3.84Å; V433-M456 HydrophobicContact CB-CE 3.69Å; V433-M456 HydrophobicContact CG1-CE 3.71Å; V433-M456 HydrophobicContact CG2-CE 4.16Å; L434-M456 HydrophobicContact CB-CG 3.88Å; L434-M456 HydrophobicContact CD2-CG 3.85Å; K453-M456 HydrophobicContact CB-CE 3.78Å; K453-M456 HydrophobicContact CD-CE 3.67Å; K453-M456 HydrophobicContact CG-CE 3.99Å; V454-M456 VanDerWaalsContact C-N 3.33Å; V454-M456 PolarHBondContact O-N 2.9Å; M456-E470 CarbonylContact O-C 3.55Å; M456-E470 WeakPolarHBondContact O-CA 3.26Å; M456-L471 WeakPolarHBondContact CA-O 3.47Å; M456-L471 VanDerWaalsContact CB-O 3.3Å; M456-L471 WeakPolarHBondContact CB-O 3.41Å; M456-L471 PolarHBondContact N-O 3.27Å; M456-L471 PolarHBondContact O-N 2.65Å; M456-V473 HydrophobicContact CB-CG2 4.21Å; M456-V473 HydrophobicContact CG-CG2 4.42Å |
| 457 | V | 94.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 110 | S429 K455 Q468 L469 E470 | S429-V457 VanDerWaalsContact CB-O 3.32Å; S429-V457 WeakPolarHBondContact CB-O 3.35Å; S429-V457 PolarHBondContact N-O 2.83Å; S429-V457 PolarHBondContact OG-O 3.03Å; K455-V457 PolarHBondContact O-N 3.15Å; V457-Q468 HydrophobicContact CG1-CB 3.94Å; V457-Q468 HydrophobicContact CG1-CG 3.92Å; V457-L469 WeakPolarHBondContact CA-O 3.45Å; V457-E470 HydrophobicContact CG2-CG 4.35Å |
| 458 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.7 | 162.4 | -175 | 0 | 0 | 0 | 0 | 108.4 | L434 V436 V443 F460 L469 | L434-V458 HydrophobicContact CD2-CG2 3.76Å; V436-V458 HydrophobicContact CG2-CG1 3.74Å; V443-V458 HydrophobicContact CG1-CG2 4.24Å; V458-F460 HydrophobicContact CB-CE2 3.9Å; V458-F460 HydrophobicContact CG1-CD2 4.17Å; V458-F460 HydrophobicContact CG1-CE2 3.48Å; V458-F460 VanDerWaalsContact CG1-CE2 3.48Å; V458-F460 HydrophobicContact CG1-CZ 3.88Å; V458-L469 HydrophobicContact CB-CB 4.4Å; V458-L469 PolarHBondContact N-O 2.98Å; V458-L469 PolarHBondContact O-N 2.94Å |
| 459 | N | 95.9 | Very high | 91.1 | Very high | 61 Ų | 61 | 44 Ų | 44 | 33% | 0.326 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 137.7 | 176.2 | -57.7 | -77.7 | 0 | 0 | 0 | 109.3 | C426 G427 Q468 | C426-N459 CarbonylContact C-O 3.51Å; C426-N459 WeakPolarHBondContact CA-O 3.41Å; C426-N459 WeakPolarHBondContact CB-O 3.34Å; G427-N459 PolarHBondContact N-O 2.87Å; G427-N459 PolarHBondContact O-N 2.88Å; N459-Q468 WeakPolarHBondContact OD1-CG 3.5Å; N459-Q468 PolarHBondContact OD1-NE2 2.82Å |
| 460 | F | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.1 | 170.3 | -69.1 | -98.2 | 0 | 0 | 0 | 108.7 | L382 P384 V406 D425 C426 C440 V458 S466 A467 L469 | L382-F460 HydrophobicContact CD2-CB 4.31Å; P384-F460 HydrophobicContact CB-CD2 3.83Å; P384-F460 HydrophobicContact CB-CE2 3.91Å; P384-F460 HydrophobicContact CB-CG 4.18Å; P384-F460 HydrophobicContact CB-CZ 4.33Å; P384-F460 HydrophobicContact CG-CD2 3.87Å; P384-F460 HydrophobicContact CG-CE2 4.23Å; P384-F460 HydrophobicContact CG-CG 4.44Å; V406-F460 HydrophobicContact CB-CZ 4.39Å; V406-F460 HydrophobicContact CG1-CE1 4Å; V406-F460 HydrophobicContact CG1-CZ 3.78Å; V406-F460 HydrophobicContact CG2-CZ 4.32Å; D425-F460 WeakPolarHBondContact O-CA 3.48Å; C426-F460 HydrophobicContact CB-CD1 3.7Å; C426-F460 HydrophobicContact CB-CE1 3.82Å; C426-F460 HydrophobicContact CB-CG 4.22Å; C426-F460 HydrophobicContact CB-CZ 4.43Å; C440-F460 HydrophobicContact CB-CD1 4.42Å; C440-F460 HydrophobicContact CB-CE1 4.1Å; V458-F460 HydrophobicContact CB-CE2 3.9Å; V458-F460 HydrophobicContact CG1-CD2 4.17Å; V458-F460 HydrophobicContact CG1-CE2 3.48Å; V458-F460 VanDerWaalsContact CG1-CE2 3.48Å; V458-F460 HydrophobicContact CG1-CZ 3.88Å; F460-S466 CarbonylContact O-C 3.29Å; F460-S466 WeakPolarHBondContact O-CA 3.46Å; F460-A467 PolarHBondContact N-O 2.97Å; F460-A467 PolarHBondContact O-N 2.84Å; F460-L469 HydrophobicContact CD2-CB 4.26Å; F460-L469 HydrophobicContact CE2-CB 3.88Å; F460-L469 HydrophobicContact CE2-CD2 3.81Å; F460-L469 HydrophobicContact CZ-CD2 4.28Å |
| 461 | T | 91.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.7 | -178.7 | 37.9 | 0 | 0 | 0 | 0 | 111.2 | T424 D425 L465 | T424-T461 WeakPolarHBondContact CA-O 3.45Å; D425-T461 PolarHBondContact N-O 3.26Å; D425-T461 PolarHBondContact O-N 2.82Å; D425-T461 PolarHBondContact O-OG1 3.07Å; T461-L465 WeakPolarHBondContact CA-O 3.45Å |
| 462 | Y | 88.1 | Confident | 91.9 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 116.2 | 175.3 | 173.1 | -107.4 | 0 | 0 | 0 | 108.6 | F379 L382 V420 T424 Y464 L465 | F379-Y462 HydrophobicContact CD2-CE1 4.49Å; F379-Y462 AromaticContact CE2-CE1 3.96Å; F379-Y462 HydrophobicContact CE2-CE1 3.96Å; F379-Y462 HydrophobicContact CZ-CE1 4.35Å; L382-Y462 HydrophobicContact CD1-CD1 4.5Å; L382-Y462 HydrophobicContact CD1-CG 4.49Å; V420-Y462 HydrophobicContact CB-CD1 4.28Å; V420-Y462 HydrophobicContact CB-CD2 4.02Å; V420-Y462 HydrophobicContact CB-CE1 4.29Å; V420-Y462 HydrophobicContact CB-CE2 4.03Å; V420-Y462 HydrophobicContact CB-CG 4.15Å; V420-Y462 HydrophobicContact CG1-CD1 4.07Å; V420-Y462 HydrophobicContact CG1-CD2 4.42Å; V420-Y462 HydrophobicContact CG1-CE1 3.68Å; V420-Y462 HydrophobicContact CG1-CE2 4.07Å; V420-Y462 HydrophobicContact CG1-CG 4.42Å; V420-Y462 HydrophobicContact CG2-CD1 4.36Å; V420-Y462 HydrophobicContact CG2-CG 4.23Å; T424-Y462 HydrophobicContact CG2-CD2 4.29Å; T424-Y462 HydrophobicContact CG2-CG 4.33Å; Y462-Y464 PolarHBondContact O-N 3.1Å; Y462-L465 HydrophobicContact CD1-CD1 4.36Å; Y462-L465 PolarHBondContact N-O 2.84Å; Y462-L465 WeakPolarHBondContact O-CB 3.4Å; Y462-L465 PolarHBondContact O-N 3.11Å |
| 463 | S | 81.4 | Confident | 92 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -109.1 | -178.4 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | D346 | D346-S463 WeakPolarHBondContact OD2-CB 3.49Å; D346-S463 PolarHBondContact OD2-OG 2.84Å |
| 464 | Y | 79.2 | Confident | 92 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 18% | 0.184 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -5 | 175.5 | 64.4 | -89.2 | 0 | 0 | 0 | 114.5 | P252 Y373 T375 F379 Y462 | P252-Y464 HydrophobicContact CB-CD1 3.88Å; P252-Y464 HydrophobicContact CB-CD2 4.41Å; P252-Y464 HydrophobicContact CB-CE1 3.89Å; P252-Y464 HydrophobicContact CB-CE2 4.41Å; P252-Y464 HydrophobicContact CB-CG 4.15Å; P252-Y464 HydrophobicContact CG-CD1 4.23Å; P252-Y464 HydrophobicContact CG-CD2 4.15Å; P252-Y464 HydrophobicContact CG-CE1 3.85Å; P252-Y464 HydrophobicContact CG-CE2 3.75Å; P252-Y464 HydrophobicContact CG-CG 4.37Å; Y373-Y464 VanDerWaalsContact CG-CB 3.46Å; T375-Y464 HydrophobicContact CG2-CE1 4.48Å; F379-Y464 WeakPolarHBondContact CB-OH 3.37Å; F379-Y464 HydrophobicContact CD2-CE1 4.41Å; F379-Y464 PolarHBondContact N-OH 3Å; F379-Y464 PolarHBondContact O-OH 3.43Å; F379-Y464 VanDerWaalsContact O-OH 3.08Å; Y462-Y464 PolarHBondContact O-N 3.1Å |
| 465 | L | 85 | Confident | 92.1 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 144.1 | -178.7 | -57.2 | 174.5 | 0 | 0 | 0 | 111.1 | F379 L382 A410 T461 Y462 | F379-L465 HydrophobicContact CB-CD1 3.77Å; F379-L465 HydrophobicContact CG-CD1 4.29Å; L382-L465 HydrophobicContact CB-CB 3.86Å; L382-L465 HydrophobicContact CB-CD1 4.05Å; L382-L465 HydrophobicContact CD1-CD1 4.38Å; L382-L465 HydrophobicContact CD2-CB 4.37Å; A410-L465 HydrophobicContact CB-CD1 4.29Å; T461-L465 WeakPolarHBondContact CA-O 3.45Å; Y462-L465 HydrophobicContact CD1-CD1 4.36Å; Y462-L465 PolarHBondContact N-O 2.84Å; Y462-L465 WeakPolarHBondContact O-CB 3.4Å; Y462-L465 PolarHBondContact O-N 3.11Å |
| 466 | S | 89.9 | Confident | 92.3 | Very high | 95 Ų | 95 | 33.3 Ų | 33.3 | 66% | 0.664 | 18% | 0.177 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.7 | 165.2 | 61 | 0 | 0 | 0 | 0 | 110.7 | F460 | F460-S466 CarbonylContact O-C 3.29Å; F460-S466 WeakPolarHBondContact O-CA 3.46Å |
| 467 | A | 93.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | F88 L382 P384 F460 | F88-A467 HydrophobicContact CZ-CB 3.99Å; L382-A467 HydrophobicContact CB-CB 3.99Å; L382-A467 HydrophobicContact CD2-CB 4.08Å; L382-A467 HydrophobicContact CG-CB 4.15Å; L382-A467 WeakPolarHBondContact O-CB 3.19Å; P384-A467 HydrophobicContact CG-CB 4.45Å; F460-A467 PolarHBondContact N-O 2.97Å; F460-A467 PolarHBondContact O-N 2.84Å |
| 468 | Q | 93.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 38.1 Ų | 38.1 | 53% | 0.528 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.7 | 176.1 | -69.9 | -170.8 | -41.1 | 0 | 0 | 109.3 | F88 V457 N459 | F88-Q468 WeakPolarHBondContact CE2-O 3.47Å; V457-Q468 HydrophobicContact CG1-CB 3.94Å; V457-Q468 HydrophobicContact CG1-CG 3.92Å; N459-Q468 WeakPolarHBondContact OD1-CG 3.5Å; N459-Q468 PolarHBondContact OD1-NE2 2.82Å |
| 469 | L | 93.3 | Very high | 92 | Very high | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.6 | 175.9 | 178.8 | 66.8 | 0 | 0 | 0 | 108.2 | P384 V386 V457 V458 F460 L471 | P384-L469 HydrophobicContact CB-CB 4.39Å; P384-L469 HydrophobicContact CB-CD1 4.46Å; P384-L469 HydrophobicContact CB-CD2 4.46Å; P384-L469 HydrophobicContact CG-CB 3.74Å; P384-L469 HydrophobicContact CG-CD1 4.15Å; P384-L469 HydrophobicContact CG-CG 4.38Å; V386-L469 HydrophobicContact CG1-CD1 3.91Å; V386-L469 HydrophobicContact CG1-CD2 3.7Å; V386-L469 HydrophobicContact CG1-CG 4.43Å; V386-L469 HydrophobicContact CG2-CD1 4.02Å; V457-L469 WeakPolarHBondContact CA-O 3.45Å; V458-L469 HydrophobicContact CB-CB 4.4Å; V458-L469 PolarHBondContact N-O 2.98Å; V458-L469 PolarHBondContact O-N 2.94Å; F460-L469 HydrophobicContact CD2-CB 4.26Å; F460-L469 HydrophobicContact CE2-CB 3.88Å; F460-L469 HydrophobicContact CE2-CD2 3.81Å; F460-L469 HydrophobicContact CZ-CD2 4.28Å; L469-L471 HydrophobicContact CD1-CD2 4.23Å; L469-L471 HydrophobicContact CD2-CD1 3.91Å; L469-L471 HydrophobicContact CD2-CD2 4.25Å; L469-L471 HydrophobicContact CD2-CG 4.13Å; L469-L471 HydrophobicContact CG-CD1 4.28Å; L469-L471 HydrophobicContact CG-CD2 4.05Å; L469-L471 HydrophobicContact CG-CG 3.96Å |
| 470 | E | 93.3 | Very high | 92 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.5 | 172.6 | -71.7 | -179.4 | -146.1 | 0 | 0 | 110.5 | K455 M456 V457 | K455-E470 HydrophobicContact CB-CG 4.5Å; K455-E470 WeakPolarHBondContact CD-OE2 3.44Å; K455-E470 WeakPolarHBondContact CG-OE2 3.48Å; M456-E470 CarbonylContact O-C 3.55Å; M456-E470 WeakPolarHBondContact O-CA 3.26Å; V457-E470 HydrophobicContact CG2-CG 4.35Å |
| 471 | L | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.3 | 179.2 | -61.8 | 176.8 | 0 | 0 | 0 | 111.2 | I391 M404 L434 V443 K455 M456 L469 | I391-L471 HydrophobicContact CD1-CD1 4.44Å; M404-L471 HydrophobicContact CE-CD1 3.83Å; M404-L471 HydrophobicContact CE-CD2 3.57Å; M404-L471 HydrophobicContact CE-CG 4.34Å; L434-L471 HydrophobicContact CD2-CD1 3.71Å; V443-L471 HydrophobicContact CG2-CD1 3.92Å; K455-L471 CarbonylContact C-O 3.52Å; K455-L471 PolarHBondContact N-O 3.22Å; M456-L471 WeakPolarHBondContact CA-O 3.47Å; M456-L471 VanDerWaalsContact CB-O 3.3Å; M456-L471 WeakPolarHBondContact CB-O 3.41Å; M456-L471 PolarHBondContact N-O 3.27Å; M456-L471 PolarHBondContact O-N 2.65Å; L469-L471 HydrophobicContact CD1-CD2 4.23Å; L469-L471 HydrophobicContact CD2-CD1 3.91Å; L469-L471 HydrophobicContact CD2-CD2 4.25Å; L469-L471 HydrophobicContact CD2-CG 4.13Å; L469-L471 HydrophobicContact CG-CD1 4.28Å; L469-L471 HydrophobicContact CG-CD2 4.05Å; L469-L471 HydrophobicContact CG-CG 3.96Å |
| 472 | N | 95 | Very high | 92 | Very high | 35 Ų | 35 | 43 Ų | 43 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.3 | 172.3 | -61.9 | -32.8 | 0 | 0 | 0 | 109.8 | T389 E390 I391 V454 K455 W474 | T389-N472 PolarHBondContact O-N 3.18Å; E390-N472 CarbonylContact C-O 3.6Å; E390-N472 WeakPolarHBondContact CA-O 3.43Å; E390-N472 HydrophobicContact CG-CB 4.3Å; I391-N472 PolarHBondContact N-O 2.03Å; V454-N472 WeakPolarHBondContact CA-OD1 3.35Å; V454-N472 VanDerWaalsContact CG1-OD1 3.26Å; V454-N472 WeakPolarHBondContact CG1-OD1 3.41Å; K455-N472 PolarHBondContact N-OD1 3.25Å; N472-W474 HydrophobicContact CB-CZ2 4.15Å |
| 473 | V | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116 | 180 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | I391 V433 L434 V445 G452 K453 M456 | I391-V473 WeakPolarHBondContact O-CA 3.32Å; V433-V473 HydrophobicContact CG1-CB 3.78Å; V433-V473 HydrophobicContact CG1-CG1 3.92Å; V433-V473 HydrophobicContact CG1-CG2 4.23Å; L434-V473 HydrophobicContact CB-CG2 4.21Å; L434-V473 HydrophobicContact CD1-CG2 4.14Å; L434-V473 HydrophobicContact CD2-CG2 4.15Å; L434-V473 HydrophobicContact CG-CG2 4.41Å; V445-V473 HydrophobicContact CG1-CG1 4.16Å; G452-V473 CarbonylContact C-O 3.44Å; G452-V473 VanDerWaalsContact C-O 3.29Å; G452-V473 WeakPolarHBondContact CA-O 3.26Å; K453-V473 PolarHBondContact N-O 3.24Å; K453-V473 PolarHBondContact O-N 3.3Å; M456-V473 HydrophobicContact CB-CG2 4.21Å; M456-V473 HydrophobicContact CG-CG2 4.42Å |
| 474 | W | 95.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 42 Ų | 42 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.8 | -174.2 | -54.8 | 99.5 | 0 | 0 | 0 | 111.2 | I391 L392 N393 N472 F534 A536 A546 F548 | I391-W474 PolarHBondContact O-N 2.83Å; L392-W474 HydrophobicContact CG-CB 4.29Å; N393-W474 WeakPolarHBondContact CB-O 3.05Å; N393-W474 PolarHBondContact N-O 2.92Å; N472-W474 HydrophobicContact CB-CZ2 4.15Å; W474-F534 HydrophobicContact CB-CB 4.15Å; W474-F534 HydrophobicContact CB-CD1 4.21Å; W474-A536 HydrophobicContact CD2-CB 4.45Å; W474-A536 HydrophobicContact CE3-CB 3.68Å; W474-A536 HydrophobicContact CZ3-CB 3.82Å; W474-A546 HydrophobicContact CH2-CB 4.2Å; W474-A546 HydrophobicContact CZ3-CB 3.92Å; W474-F548 AromaticContact CD1-CD2 3.91Å; W474-F548 HydrophobicContact CD2-CB 3.81Å; W474-F548 HydrophobicContact CD2-CD2 4.18Å; W474-F548 HydrophobicContact CD2-CG 4.41Å; W474-F548 AromaticContact CE2-CD2 3.82Å; W474-F548 HydrophobicContact CE3-CB 3.91Å; W474-F548 HydrophobicContact CG-CB 4.17Å; W474-F548 HydrophobicContact CG-CD2 4.22Å; W474-F548 HydrophobicContact CG-CG 4.45Å; W474-F548 HydrophobicContact CZ2-CD2 4.35Å; W474-F548 HydrophobicContact CZ3-CB 4.34Å; W474-F548 AromaticContact NE1-CD2 3.63Å |
| 475 | M | 95.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.7 | 179.8 | -179.2 | 68.6 | -176.2 | 0 | 0 | 110.3 | V396 M450 Q477 L478 F534 V535 | V396-M475 HydrophobicContact CG1-CE 4.25Å; V396-M475 HydrophobicContact CG2-CE 3.86Å; V396-M475 HydrophobicContact CG2-SD 4.06Å; M450-M475 HydrophobicContact SD-CE 4.39Å; M475-Q477 PolarHBondContact O-N 2.85Å; M475-L478 HydrophobicContact CE-CD1 4.33Å; M475-F534 WeakPolarHBondContact O-CA 3.47Å; M475-V535 PolarHBondContact N-O 2.86Å; M475-V535 WeakPolarHBondContact O-CG2 3.48Å; M475-V535 PolarHBondContact O-N 2.9Å |
| 476 | P | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.3 | 168.8 | 26.4 | -34.2 | 0 | 0 | 0 | 110.4 | N393 V396 L397 L478 T532 F534 | N393-P476 VanDerWaalsContact O-CD 3.26Å; N393-P476 WeakPolarHBondContact O-CD 3.3Å; V396-P476 HydrophobicContact CB-CG 4.28Å; L397-P476 HydrophobicContact CD1-CB 4.11Å; L397-P476 HydrophobicContact CD1-CG 4.27Å; L397-P476 HydrophobicContact CD2-CB 4.32Å; L397-P476 HydrophobicContact CD2-CG 4.21Å; L397-P476 HydrophobicContact CG-CB 4.37Å; L397-P476 HydrophobicContact CG-CG 4.09Å; P476-L478 PolarHBondContact O-N 2.83Å; P476-T532 HydrophobicContact CB-CG2 3.97Å; P476-F534 HydrophobicContact CB-CE1 4.07Å; P476-F534 HydrophobicContact CB-CE2 4.45Å; P476-F534 HydrophobicContact CB-CZ 4.02Å; P476-F534 HydrophobicContact CG-CE1 4.35Å |
| 477 | Q | 93.7 | Very high | 93.5 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 127.1 | 177.7 | -172.3 | -179.7 | 15.4 | 0 | 0 | 110.3 | M475 T532 H533 V535 | M475-Q477 PolarHBondContact O-N 2.85Å; Q477-T532 PolarHBondContact N-OG1 3.02Å; Q477-T532 PolarHBondContact O-OG1 3.45Å; Q477-H533 HydrophobicContact CB-CB 4.38Å; Q477-H533 WeakPolarHBondContact CB-O 3.44Å; Q477-H533 PolarHBondContact N-O 2.9Å; Q477-H533 PolarHBondContact OE1-ND1 3.33Å; Q477-V535 HydrophobicContact CB-CG2 4.17Å |
| 478 | L | 92.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -108.5 | 146.6 | 176 | -62 | 179.4 | 0 | 0 | 0 | 110.6 | M450 M475 P476 L480 L602 | M450-L478 HydrophobicContact CE-CD1 4.04Å; M475-L478 HydrophobicContact CE-CD1 4.33Å; P476-L478 PolarHBondContact O-N 2.83Å; L478-L480 HydrophobicContact CD2-CD2 3.6Å; L478-L480 HydrophobicContact CD2-CG 3.89Å; L478-L602 HydrophobicContact CD1-CD2 4.09Å; L478-L602 HydrophobicContact CD2-CB 4.37Å; L478-L602 HydrophobicContact CD2-CD2 4.06Å |
| 479 | P | 94.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 39 Ų | 39 | 66% | 0.662 | 21% | 0.205 | S | C | * | . | S | Bend | cis | -68.8 | 155.3 | -7 | 31.1 | -36.1 | 0 | 0 | 0 | 112.5 | L602 | P479-L602 VanDerWaalsContact CA-O 3.31Å; P479-L602 WeakPolarHBondContact CA-O 3.28Å; P479-L602 WeakPolarHBondContact CB-O 3.14Å |
| 480 | L | 95.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 155.5 | 176.3 | -42.1 | 166.5 | 0 | 0 | 0 | 110.1 | L397 L478 V530 T532 I557 V561 V593 L602 A603 | L397-L480 HydrophobicContact CD2-CD1 3.95Å; L397-L480 HydrophobicContact CD2-CD2 3.94Å; L478-L480 HydrophobicContact CD2-CD2 3.6Å; L478-L480 HydrophobicContact CD2-CG 3.89Å; L480-V530 HydrophobicContact CB-CG1 3.98Å; L480-V530 HydrophobicContact CD1-CG1 4.31Å; L480-T532 HydrophobicContact CD2-CG2 4.24Å; L480-I557 HydrophobicContact CB-CD1 4.48Å; L480-I557 HydrophobicContact CD1-CD1 3.81Å; L480-I557 HydrophobicContact CD2-CD1 3.75Å; L480-I557 HydrophobicContact CG-CD1 4.22Å; L480-V561 HydrophobicContact CD1-CG1 4.42Å; L480-V593 HydrophobicContact CD1-CG1 4.02Å; L480-L602 HydrophobicContact CD1-CB 3.82Å; L480-L602 HydrophobicContact CD1-CD1 4.26Å; L480-L602 HydrophobicContact CG-CB 4.18Å; L480-L602 PolarHBondContact N-O 2.81Å; L480-A603 HydrophobicContact CB-CB 3.81Å; L480-A603 WeakPolarHBondContact O-CB 3.36Å |
| 481 | Q | 93.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 35 Ų | 35 | 44% | 0.444 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.9 | 180 | -61.5 | -179.2 | 1.4 | 0 | 0 | 109.9 | V530 L531 | Q481-V530 CarbonylContact O-C 3.59Å; Q481-V530 WeakPolarHBondContact O-CA 3.46Å; Q481-L531 HydrophobicContact CB-CB 4.37Å; Q481-L531 PolarHBondContact N-O 3.11Å; Q481-L531 PolarHBondContact O-N 3.49Å |
| 482 | I | 94.2 | Very high | 93.8 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.6 | 173.4 | -48.2 | 169.7 | 0 | 0 | 0 | 108.1 | L484 V528 R529 V530 I591 V593 A603 T605 | I482-L484 HydrophobicContact CG2-CD2 4.36Å; I482-V528 HydrophobicContact CG2-CG1 3.73Å; I482-R529 CarbonylContact C-O 3.58Å; I482-R529 WeakPolarHBondContact CA-O 3.47Å; I482-V530 HydrophobicContact CG1-CG2 4.42Å; I482-I591 HydrophobicContact CD1-CB 4.47Å; I482-I591 HydrophobicContact CD1-CG2 4.13Å; I482-V593 HydrophobicContact CD1-CG2 3.94Å; I482-V593 HydrophobicContact CG1-CG2 4.2Å; I482-A603 HydrophobicContact CD1-CB 3.93Å; I482-A603 HydrophobicContact CG1-CB 3.87Å; I482-T605 PolarHBondContact O-OG1 3.16Å |
| 483 | E | 91.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.6 | 173.8 | -178.3 | 173.2 | -146.9 | 0 | 0 | 109.5 | K19 F25 R529 L531 | K19-E483 IonicContact NZ-OE1 2.67Å; K19-E483 PolarHBondContact NZ-OE1 2.88Å; K19-E483 IonicContact NZ-OE2 2.75Å; K19-E483 PolarHBondContact NZ-OE2 3.42Å; F25-E483 HydrophobicContact CD2-CG 4.17Å; E483-R529 HydrophobicContact CB-CB 4.44Å; E483-R529 PolarHBondContact N-O 2.88Å; E483-R529 PolarHBondContact O-N 2.93Å; E483-L531 HydrophobicContact CB-CD1 4.38Å |
| 484 | L | 91.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.3 | 176 | -61.2 | 177.4 | 0 | 0 | 0 | 109.3 | I482 D486 T487 L527 V528 I591 T605 V607 | I482-L484 HydrophobicContact CG2-CD2 4.36Å; L484-D486 WeakPolarHBondContact CB-O 3.5Å; L484-D486 PolarHBondContact O-N 2.81Å; L484-T487 HydrophobicContact CB-CG2 4.31Å; L484-T487 HydrophobicContact CD1-CG2 4.23Å; L484-L527 WeakPolarHBondContact CA-O 3.47Å; L484-V528 HydrophobicContact CD2-CB 4.08Å; L484-V528 HydrophobicContact CD2-CG1 3.82Å; L484-V528 HydrophobicContact CD2-CG2 3.67Å; L484-I591 HydrophobicContact CD1-CD1 4.3Å; L484-I591 HydrophobicContact CD2-CD1 3.67Å; L484-T605 HydrophobicContact CD1-CG2 3.83Å; L484-T605 HydrophobicContact CG-CG2 4.39Å; L484-V607 HydrophobicContact CD1-CB 4.45Å |
| 485 | S | 89.1 | Confident | 93 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -71.7 | -18 | 172.8 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | A526 L527 | S485-A526 WeakPolarHBondContact OG-CA 3.44Å; S485-L527 PolarHBondContact N-O 3.08Å; S485-L527 PolarHBondContact OG-N 2.86Å |
| 486 | D | 90.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | trans | -154.9 | 140.7 | 176 | -168.6 | -10.1 | 0 | 0 | 0 | 109 | L484 E488 L489 A526 N670 | L484-D486 WeakPolarHBondContact CB-O 3.5Å; L484-D486 PolarHBondContact O-N 2.81Å; D486-E488 PolarHBondContact OD1-N 2.76Å; D486-L489 HydrophobicContact CB-CD2 4.08Å; D486-A526 HydrophobicContact CB-CB 4.08Å; D486-A526 WeakPolarHBondContact O-CB 3.3Å; D486-N670 PolarHBondContact OD1-ND2 2.89Å; D486-N670 PolarHBondContact OD2-ND2 2.95Å | ||
| 487 | T | 92.3 | Very high | 92.4 | Very high | 75 Ų | 75 | 44.5 Ų | 44.5 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -112.3 | -13.3 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | L484 V607 K608 | L484-T487 HydrophobicContact CB-CG2 4.31Å; L484-T487 HydrophobicContact CD1-CG2 4.23Å; T487-V607 WeakPolarHBondContact O-CG2 3.41Å; T487-K608 PolarHBondContact O-N 2.86Å |
| 488 | E | 94.5 | Very high | 92.1 | Very high | 90 Ų | 90 | 42.5 Ų | 42.5 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 78.7 | -176.5 | -60.5 | -145.6 | 153 | 0 | 0 | 112.1 | D486 S490 K608 | D486-E488 PolarHBondContact OD1-N 2.76Å; E488-S490 PolarHBondContact O-N 2.96Å; E488-S490 PolarHBondContact O-OG 2.83Å; E488-K608 CarbonylContact C-O 3.6Å; E488-K608 WeakPolarHBondContact CA-O 3.45Å; E488-K608 HydrophobicContact CG-CB 4.39Å; E488-K608 WeakPolarHBondContact OE1-CD 3.41Å; E488-K608 IonicContact OE1-NZ 3.26Å; E488-K608 PolarHBondContact OE1-NZ 2.65Å; E488-K608 IonicContact OE2-NZ 3.76Å; E488-K608 PolarHBondContact OE2-NZ 2.8Å |
| 489 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 114.8 | -173.5 | -54.7 | 177.9 | 0 | 0 | 0 | 112 | D486 Q524 A526 L581 V607 K608 V609 V610 | D486-L489 HydrophobicContact CB-CD2 4.08Å; L489-Q524 HydrophobicContact CB-CB 4.32Å; L489-Q524 HydrophobicContact CD2-CB 3.97Å; L489-A526 HydrophobicContact CD2-CB 4.1Å; L489-L581 HydrophobicContact CD1-CD2 4.28Å; L489-L581 HydrophobicContact CD1-CG 4.4Å; L489-V607 HydrophobicContact CD1-CG2 4.25Å; L489-V607 HydrophobicContact CG-CG2 4.27Å; L489-K608 PolarHBondContact N-O 3.46Å; L489-V609 HydrophobicContact CB-CG2 4.36Å; L489-V609 CarbonylContact O-C 3.59Å; L489-V609 VanDerWaalsContact O-CA 3.31Å; L489-V609 WeakPolarHBondContact O-CA 3.47Å; L489-V610 PolarHBondContact O-N 3.02Å |
| 490 | S | 94.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 166.7 | -177.5 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | E488 Q524 V610 D612 | E488-S490 PolarHBondContact O-N 2.96Å; E488-S490 PolarHBondContact O-OG 2.83Å; S490-Q524 PolarHBondContact O-N 2.69Å; S490-V610 WeakPolarHBondContact OG-CG2 3.01Å; S490-D612 WeakPolarHBondContact CB-O 3.42Å |
| 491 | Q | 94.3 | Very high | 88.3 | Confident | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.8 | 174.5 | -80 | -164.2 | -12 | 0 | 0 | 112.4 | K493 L521 L523 F586 D612 K613 V614 | Q491-K493 PolarHBondContact O-N 3.14Å; Q491-L521 HydrophobicContact CB-CB 4.46Å; Q491-L521 HydrophobicContact CB-CD1 4.46Å; Q491-L523 HydrophobicContact CB-CD2 4.35Å; Q491-L523 HydrophobicContact CG-CD2 3.48Å; Q491-L523 VanDerWaalsContact CG-CD2 3.48Å; Q491-L523 HydrophobicContact CG-CG 4.2Å; Q491-F586 HydrophobicContact CG-CE1 4.01Å; Q491-F586 HydrophobicContact CG-CZ 4.37Å; Q491-D612 PolarHBondContact N-O 2.86Å; Q491-K613 HydrophobicContact CB-CG 3.88Å; Q491-K613 CarbonylContact O-C 3.6Å; Q491-K613 VanDerWaalsContact O-CA 3.28Å; Q491-K613 WeakPolarHBondContact O-CA 3.36Å; Q491-K613 VanDerWaalsContact OE1-CE 3.25Å; Q491-V614 PolarHBondContact O-N 3.08Å |
| 492 | I | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.5 | 179.1 | -50 | 169.3 | 0 | 0 | 0 | 109.8 | W495 Q522 Q524 V614 I616 F666 Y677 | I492-W495 HydrophobicContact CB-CB 4.36Å; I492-W495 HydrophobicContact CB-CE3 4.48Å; I492-W495 HydrophobicContact CD1-CE3 3.63Å; I492-W495 HydrophobicContact CD1-CZ3 3.8Å; I492-W495 HydrophobicContact CG2-CB 4.11Å; I492-W495 HydrophobicContact CG2-CE3 4.14Å; I492-Q522 WeakPolarHBondContact CB-O 3.45Å; I492-Q522 HydrophobicContact CD1-CB 4.4Å; I492-Q522 HydrophobicContact CD1-CG 4.02Å; I492-Q522 WeakPolarHBondContact CG1-O 3.17Å; I492-Q522 PolarHBondContact N-O 2.68Å; I492-Q524 HydrophobicContact CD1-CG 4.22Å; I492-Q524 HydrophobicContact CG1-CG 4.01Å; I492-V614 HydrophobicContact CG1-CG2 4.42Å; I492-I616 HydrophobicContact CG2-CD1 4.21Å; I492-I616 HydrophobicContact CG2-CG1 3.86Å; I492-F666 HydrophobicContact CB-CE1 4.47Å; I492-F666 HydrophobicContact CD1-CE1 3.6Å; I492-F666 HydrophobicContact CD1-CZ 3.73Å; I492-F666 HydrophobicContact CG1-CD1 4.45Å; I492-F666 HydrophobicContact CG1-CE1 3.72Å; I492-F666 HydrophobicContact CG1-CZ 4.24Å; I492-F666 HydrophobicContact CG2-CD1 4.43Å; I492-F666 HydrophobicContact CG2-CE1 3.92Å; I492-Y677 HydrophobicContact CD1-CE1 4.36Å |
| 493 | K | 91.9 | Very high | 83.4 | Confident | 91 Ų | 91 | 61 Ų | 61 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 141.9 | 174.6 | -73.4 | 165.5 | 167.6 | 145.2 | 0 | 110.8 | Q491 W495 K613 V614 | Q491-K493 PolarHBondContact O-N 3.14Å; K493-W495 PolarHBondContact O-N 2.69Å; K493-K613 HydrophobicContact CD-CB 4.42Å; K493-K613 WeakPolarHBondContact CE-O 3.44Å; K493-K613 HydrophobicContact CG-CB 3.93Å; K493-K613 PolarHBondContact NZ-O 2.91Å; K493-V614 WeakPolarHBondContact CB-O 3.39Å; K493-V614 WeakPolarHBondContact CG-O 3.35Å; K493-V614 PolarHBondContact N-O 2.91Å |
| 494 | S | 87.3 | Confident | 80.8 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 64 | -20.7 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 117.5 | R496 I720 | S494-R496 PolarHBondContact O-N 3Å; S494-I720 WeakPolarHBondContact O-CG2 3.38Å |
| 495 | W | 91.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 112.1 | 173.3 | -166.8 | -9.8 | 0 | 0 | 0 | 110.4 | I492 K493 L521 Q522 I616 L674 Y677 N681 Y682 M718 V733 | I492-W495 HydrophobicContact CB-CB 4.36Å; I492-W495 HydrophobicContact CB-CE3 4.48Å; I492-W495 HydrophobicContact CD1-CE3 3.63Å; I492-W495 HydrophobicContact CD1-CZ3 3.8Å; I492-W495 HydrophobicContact CG2-CB 4.11Å; I492-W495 HydrophobicContact CG2-CE3 4.14Å; K493-W495 PolarHBondContact O-N 2.69Å; W495-L521 WeakPolarHBondContact O-CA 3.4Å; W495-L521 WeakPolarHBondContact O-CD2 3.37Å; W495-Q522 HydrophobicContact CB-CB 4.25Å; W495-Q522 HydrophobicContact CD2-CB 3.9Å; W495-Q522 HydrophobicContact CD2-CG 4.02Å; W495-Q522 HydrophobicContact CE3-CB 4.33Å; W495-Q522 HydrophobicContact CE3-CG 4.15Å; W495-Q522 HydrophobicContact CG-CB 3.86Å; W495-Q522 HydrophobicContact CH2-CG 4.45Å; W495-Q522 HydrophobicContact CZ2-CG 4.33Å; W495-Q522 HydrophobicContact CZ3-CG 4.36Å; W495-Q522 PolarHBondContact O-N 2.81Å; W495-I616 HydrophobicContact CE3-CD1 4.45Å; W495-L674 HydrophobicContact CH2-CD1 3.75Å; W495-L674 HydrophobicContact CZ2-CD1 4.47Å; W495-L674 HydrophobicContact CZ3-CD1 4.42Å; W495-Y677 AromaticContact CH2-CD1 3.67Å; W495-Y677 HydrophobicContact CH2-CD1 3.67Å; W495-Y677 AromaticContact CH2-CD2 3.9Å; W495-Y677 HydrophobicContact CH2-CD2 3.9Å; W495-Y677 HydrophobicContact CH2-CE1 4.15Å; W495-Y677 HydrophobicContact CH2-CE2 4.35Å; W495-Y677 AromaticContact CH2-CG 3.53Å; W495-Y677 HydrophobicContact CH2-CG 3.53Å; W495-Y677 HydrophobicContact CZ2-CD1 4.34Å; W495-Y677 HydrophobicContact CZ2-CG 4.28Å; W495-Y677 HydrophobicContact CZ3-CD1 4.22Å; W495-Y677 HydrophobicContact CZ3-CD2 4.46Å; W495-Y677 HydrophobicContact CZ3-CE1 4.24Å; W495-Y677 HydrophobicContact CZ3-CE2 4.48Å; W495-Y677 HydrophobicContact CZ3-CG 4.34Å; W495-N681 PolarHBondContact NE1-O 3Å; W495-Y682 AromaticContact CZ2-CD1 3.84Å; W495-Y682 HydrophobicContact CZ2-CD1 3.84Å; W495-Y682 HydrophobicContact CZ2-CG 4.21Å; W495-M718 HydrophobicContact CD2-CE 3.76Å; W495-M718 HydrophobicContact CE3-CE 3.7Å; W495-M718 HydrophobicContact CH2-CE 3.49Å; W495-M718 VanDerWaalsContact CH2-CE 3.49Å; W495-M718 HydrophobicContact CZ2-CE 3.53Å; W495-M718 HydrophobicContact CZ3-CE 3.58Å; W495-V733 HydrophobicContact CB-CG1 4.19Å |
| 496 | R | 89.7 | Confident | 75.7 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.2 | 177.1 | -69.3 | -174.4 | -177.7 | 107.6 | 2.6 | 112.4 | S494 C519 M520 L521 C721 C724 | S494-R496 PolarHBondContact O-N 3Å; R496-C519 HydrophobicContact CB-CB 4.34Å; R496-M520 VanDerWaalsContact CA-O 3.27Å; R496-M520 WeakPolarHBondContact CA-O 3.27Å; R496-L521 HydrophobicContact CG-CD2 3.98Å; R496-C721 PolarHBondContact O-SG 2.95Å; R496-C721 VanDerWaalsContact O-SG 3.39Å; R496-C724 HydrophobicContact CB-CB 4.03Å |
| 497 | V | 89.4 | Confident | 73.3 | Confident | 8 Ų | 8 | 87.2 Ų | 87.2 | 5% | 0.048 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.8 | -177.4 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | C519 M520 Q522 N681 | V497-C519 CarbonylContact O-C 3.56Å; V497-C519 WeakPolarHBondContact O-CA 3.49Å; V497-C519 WeakPolarHBondContact O-CB 3.41Å; V497-M520 HydrophobicContact CG2-CG 3.96Å; V497-M520 PolarHBondContact N-O 2.8Å; V497-M520 PolarHBondContact O-N 2.83Å; V497-Q522 HydrophobicContact CG1-CB 4.05Å; V497-Q522 HydrophobicContact CG2-CB 4.34Å; V497-N681 HydrophobicContact CB-CB 4.48Å; V497-N681 HydrophobicContact CG1-CB 3.58Å |
| 498 | P | 86.7 | Confident | 70.7 | Confident | 33 Ų | 33 | 90.9 Ų | 90.9 | 21% | 0.214 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139.6 | -175.8 | 29.9 | -35.4 | 0 | 0 | 0 | 110.6 | L500 C724 | P498-L500 PolarHBondContact O-N 2.85Å; P498-C724 VanDerWaalsContact N-SG 3.36Å |
| 499 | I | 81.1 | Confident | 67.8 | Low | 83 Ų | 83 | 89.9 Ų | 89.9 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | trans | -71.6 | 102.6 | 174.1 | -61.8 | 172.8 | 0 | 0 | 0 | 108 | T501 G518 M520 | I499-T501 HydrophobicContact CG2-CG2 4.09Å; I499-T501 PolarHBondContact O-N 3Å; I499-G518 WeakPolarHBondContact CG1-O 3.34Å; I499-G518 PolarHBondContact N-O 3.44Å; I499-M520 HydrophobicContact CG1-CB 4.2Å; I499-M520 HydrophobicContact CG1-CG 4.13Å; I499-M520 HydrophobicContact CG1-SD 4.16Å | ||
| 500 | L | 65.3 | Low | 65.4 | Low | 147 Ų | 147 | 98.7 Ų | 98.7 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | trans | -72.3 | 78.9 | 173.9 | -66.8 | 172.4 | 0 | 0 | 0 | 110 | P498 S502 | P498-L500 PolarHBondContact O-N 2.85Å; L500-S502 PolarHBondContact O-N 2.87Å | ||
| 501 | T | 56 | Low | 62.9 | Low | 116 Ų | 116 | 105.6 Ų | 105.6 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | trans | -61 | 122.9 | 167.9 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | I499 K503 | I499-T501 HydrophobicContact CG2-CG2 4.09Å; I499-T501 PolarHBondContact O-N 3Å; T501-K503 PolarHBondContact O-N 2.94Å | ||
| 502 | S | 44.8 | Very low | 60.4 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 80% | 0.797 | 57% | 0.566 | S | S | * | * | trans | -60 | 129.3 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | L500 R504 | L500-S502 PolarHBondContact O-N 2.87Å; S502-R504 VanDerWaalsContact C-N 3.32Å; S502-R504 PolarHBondContact O-N 2.99Å | ||
| 503 | K | 40.8 | Very low | 58.1 | Low | 206 Ų | 206 | 115.2 Ų | 115.2 | 90% | 0.896 | 60% | 0.601 | S | S | * | * | trans | -64.9 | 89.9 | 177.1 | -82.5 | -169.5 | 174.5 | -175.3 | 0 | 110.2 | T501 S505 | T501-K503 PolarHBondContact O-N 2.94Å; K503-S505 PolarHBondContact O-N 3.28Å | ||
| 504 | R | 36.3 | Very low | 55.9 | Low | 243 Ų | 243 | 121.8 Ų | 121.8 | 92% | 0.917 | 62% | 0.624 | S | S | * | * | trans | -71.4 | 111.2 | 163.6 | -150.6 | 177.3 | -158.4 | 172.1 | 6 | 107.2 | S502 G506 | S502-R504 VanDerWaalsContact C-N 3.32Å; S502-R504 PolarHBondContact O-N 2.99Å; R504-G506 VanDerWaalsContact C-N 3.33Å; R504-G506 PolarHBondContact O-N 2.81Å | ||
| 505 | S | 40.2 | Very low | 53.8 | Low | 127 Ų | 127 | 127.6 Ų | 127.6 | 89% | 0.888 | 64% | 0.64 | S | S | * | * | trans | -68.7 | 87.4 | 177.9 | 35.7 | 0 | 0 | 0 | 0 | 110.4 | K503 | K503-S505 PolarHBondContact O-N 3.28Š| ||
| 506 | G | 33.7 | Very low | 51.8 | Low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | -147.1 | 80.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R504 | R504-G506 VanDerWaalsContact C-N 3.33Å; R504-G506 PolarHBondContact O-N 2.81Å | ||
| 507 | W | 38.8 | Very low | 50.3 | Low | 237 Ų | 237 | 134.4 Ų | 134.4 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | trans | 35.8 | 117.2 | 150 | -72.8 | 66.9 | 0 | 0 | 0 | 119.8 | ||||
| 508 | N | 38.1 | Very low | 49.7 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | 42.3 | 94 | 152.5 | -65.6 | 9.1 | 0 | 0 | 0 | 119.1 | ||||
| 509 | S | 33.6 | Very low | 49.7 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 48% | 0.483 | 71% | 0.706 | S | S | . | * | trans | -154.6 | 119 | 134.9 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | E511 A512 | S509-E511 PolarHBondContact O-N 3.12Å; S509-E511 WeakPolarHBondContact OG-CB 3.42Å; S509-E511 PolarHBondContact OG-N 2.97Å; S509-A512 WeakPolarHBondContact O-CB 3.46Å; S509-A512 PolarHBondContact O-N 3Å | ||
| 510 | E | 44.8 | Very low | 50 | Low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -8.4 | 173.1 | -61 | -174.3 | 134.9 | 0 | 0 | 112.5 | A512 | E510-A512 VanDerWaalsContact C-N 3.33Š|
| 511 | E | 43 | Very low | 51.3 | Low | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -16.4 | 173.7 | -52.3 | -169.9 | 122.3 | 0 | 0 | 112.6 | S509 E513 R514 | S509-E511 PolarHBondContact O-N 3.12Å; S509-E511 WeakPolarHBondContact OG-CB 3.42Å; S509-E511 PolarHBondContact OG-N 2.97Å; E511-E513 VanDerWaalsContact C-N 3.29Å; E511-E513 PolarHBondContact O-N 3.49Å; E511-R514 PolarHBondContact O-N 2.99Å |
| 512 | A | 42 | Very low | 53 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -63.6 | -31.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | S509 E510 R514 K515 | S509-A512 WeakPolarHBondContact O-CB 3.46Å; S509-A512 PolarHBondContact O-N 3Å; E510-A512 VanDerWaalsContact C-N 3.33Å; A512-R514 PolarHBondContact O-N 3.01Å; A512-K515 PolarHBondContact O-N 3.1Å |
| 513 | E | 44.6 | Very low | 55.3 | Low | 159 Ų | 159 | 119.6 Ų | 119.6 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -64.3 | -22.4 | -179.6 | -72.6 | -142.8 | 113.9 | 0 | 0 | 114 | E511 | E511-E513 VanDerWaalsContact C-N 3.29Å; E511-E513 PolarHBondContact O-N 3.49Å |
| 514 | R | 45.9 | Very low | 57.8 | Low | 229 Ų | 229 | 109.8 Ų | 109.8 | 86% | 0.864 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -87.7 | -12.2 | -179.4 | -69.9 | -172.3 | 171.6 | 98.6 | -0.7 | 113.9 | E511 A512 G516 | E511-R514 PolarHBondContact O-N 2.99Å; A512-R514 PolarHBondContact O-N 3.01Å; R514-G516 VanDerWaalsContact C-N 3.35Å; R514-G516 PolarHBondContact O-N 2.83Å |
| 515 | K | 43.8 | Very low | 60.5 | Low | 195 Ų | 195 | 98.7 Ų | 98.7 | 85% | 0.848 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -90.8 | 66.4 | 176.1 | -81.6 | -178 | 176.2 | 170.6 | 0 | 112.7 | A512 | A512-K515 PolarHBondContact O-N 3.1Š|
| 516 | G | 48.1 | Very low | 62.9 | Low | 63 Ų | 63 | 92.6 Ų | 92.6 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | trans | 69.3 | 95.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | R514 G518 | R514-G516 VanDerWaalsContact C-N 3.35Å; R514-G516 PolarHBondContact O-N 2.83Å; G516-G518 PolarHBondContact O-N 2.87Å | ||
| 517 | K | 60 | Low | 65.7 | Low | 174 Ų | 174 | 91.3 Ų | 91.3 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | trans | -66.1 | 78.8 | 150.1 | -70 | 176.8 | -177.8 | 170.3 | 0 | 108.5 | ||||
| 518 | G | 75.5 | Confident | 68.2 | Low | 31 Ų | 31 | 80.3 Ų | 80.3 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | trans | -65.8 | 154.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I499 G516 | I499-G518 WeakPolarHBondContact CG1-O 3.34Å; I499-G518 PolarHBondContact N-O 3.44Å; G516-G518 PolarHBondContact O-N 2.87Å | ||
| 519 | C | 86.2 | Confident | 70.8 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.6 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | R496 V497 C724 | R496-C519 HydrophobicContact CB-CB 4.34Å; V497-C519 CarbonylContact O-C 3.56Å; V497-C519 WeakPolarHBondContact O-CA 3.49Å; V497-C519 WeakPolarHBondContact O-CB 3.41Å; C519-C724 HydrophobicContact CB-CB 3.75Å; C519-C724 WeakPolarHBondContact CB-SG 3.45Å; C519-C724 WeakPolarHBondContact SG-CA 3.49Å; C519-C724 WeakPolarHBondContact SG-CB 3.45Å; C519-C724 CovalentContact SG-SG 2.03Å; C519-C724 PolarHBondContact SG-SG 2.75Å |
| 520 | M | 89.4 | Confident | 73.7 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 171.2 | 176 | 61.8 | -167.2 | -69.9 | 0 | 0 | 110.6 | R496 V497 I499 | R496-M520 VanDerWaalsContact CA-O 3.27Å; R496-M520 WeakPolarHBondContact CA-O 3.27Å; V497-M520 HydrophobicContact CG2-CG 3.96Å; V497-M520 PolarHBondContact N-O 2.8Å; V497-M520 PolarHBondContact O-N 2.83Å; I499-M520 HydrophobicContact CG1-CB 4.2Å; I499-M520 HydrophobicContact CG1-CG 4.13Å; I499-M520 HydrophobicContact CG1-SD 4.16Å |
| 521 | L | 90.9 | Very high | 76.1 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 143.9 | 167.1 | -67.3 | 177.5 | 0 | 0 | 0 | 109.5 | Q491 W495 R496 K613 | Q491-L521 HydrophobicContact CB-CB 4.46Å; Q491-L521 HydrophobicContact CB-CD1 4.46Å; W495-L521 WeakPolarHBondContact O-CA 3.4Å; W495-L521 WeakPolarHBondContact O-CD2 3.37Å; R496-L521 HydrophobicContact CG-CD2 3.98Å; L521-K613 HydrophobicContact CD1-CD 4.48Å |
| 522 | Q | 91.8 | Very high | 78.6 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.3 | 172.5 | 179.5 | 58.8 | 42.6 | 0 | 0 | 109.5 | I492 W495 V497 H525 Y677 | I492-Q522 WeakPolarHBondContact CB-O 3.45Å; I492-Q522 HydrophobicContact CD1-CB 4.4Å; I492-Q522 HydrophobicContact CD1-CG 4.02Å; I492-Q522 WeakPolarHBondContact CG1-O 3.17Å; I492-Q522 PolarHBondContact N-O 2.68Å; W495-Q522 HydrophobicContact CB-CB 4.25Å; W495-Q522 HydrophobicContact CD2-CB 3.9Å; W495-Q522 HydrophobicContact CD2-CG 4.02Å; W495-Q522 HydrophobicContact CE3-CB 4.33Å; W495-Q522 HydrophobicContact CE3-CG 4.15Å; W495-Q522 HydrophobicContact CG-CB 3.86Å; W495-Q522 HydrophobicContact CH2-CG 4.45Å; W495-Q522 HydrophobicContact CZ2-CG 4.33Å; W495-Q522 HydrophobicContact CZ3-CG 4.36Å; W495-Q522 PolarHBondContact O-N 2.81Å; V497-Q522 HydrophobicContact CG1-CB 4.05Å; V497-Q522 HydrophobicContact CG2-CB 4.34Å; Q522-H525 PolarHBondContact NE2-NE2 3.4Å; Q522-Y677 HydrophobicContact CG-CD1 4.2Å; Q522-Y677 HydrophobicContact CG-CE1 4.22Å |
| 523 | L | 93.1 | Very high | 81 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 151.3 | 169.6 | -76.2 | 160.7 | 0 | 0 | 0 | 110 | Q491 G583 R584 V609 | Q491-L523 HydrophobicContact CB-CD2 4.35Å; Q491-L523 HydrophobicContact CG-CD2 3.48Å; Q491-L523 VanDerWaalsContact CG-CD2 3.48Å; Q491-L523 HydrophobicContact CG-CG 4.2Å; L523-G583 VanDerWaalsContact CD1-C 3.43Å; L523-R584 VanDerWaalsContact CD1-C 3.49Å; L523-R584 VanDerWaalsContact CD1-N 3.34Å; L523-R584 WeakPolarHBondContact CD1-O 3.4Å; L523-V609 HydrophobicContact CD1-CG1 3.94Å; L523-V609 HydrophobicContact CD2-CG1 3.81Å; L523-V609 HydrophobicContact CG-CG1 4.49Å |
| 524 | Q | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -58 | 152.1 | 172.9 | -78.6 | 165 | -49.8 | 0 | 0 | 112.1 | L489 S490 I492 G583 V614 F666 D668 | L489-Q524 HydrophobicContact CB-CB 4.32Å; L489-Q524 HydrophobicContact CD2-CB 3.97Å; S490-Q524 PolarHBondContact O-N 2.69Å; I492-Q524 HydrophobicContact CD1-CG 4.22Å; I492-Q524 HydrophobicContact CG1-CG 4.01Å; Q524-G583 PolarHBondContact O-N 3.26Å; Q524-V614 HydrophobicContact CG-CG2 4.47Å; Q524-F666 HydrophobicContact CG-CD2 4.32Å; Q524-F666 HydrophobicContact CG-CE1 4.43Å; Q524-F666 HydrophobicContact CG-CE2 3.95Å; Q524-F666 HydrophobicContact CG-CZ 4.01Å; Q524-D668 PolarHBondContact NE2-OD2 2.72Å |
| 525 | H | 93.1 | Very high | 85.8 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.1 | 171.8 | -71.5 | -171.2 | 0 | 0 | 0 | 109.8 | Q522 V580 L581 S582 I676 Y677 | Q522-H525 PolarHBondContact NE2-NE2 3.4Å; H525-V580 HydrophobicContact CB-CG1 4.07Å; H525-L581 CarbonylContact C-O 3.57Å; H525-L581 VanDerWaalsContact CA-O 3.23Å; H525-L581 WeakPolarHBondContact CA-O 3.27Å; H525-S582 WeakPolarHBondContact CD2-CB 3.28Å; H525-S582 WeakPolarHBondContact NE2-CB 3.34Å; H525-I676 HydrophobicContact CB-CD1 3.65Å; H525-I676 HydrophobicContact CB-CG1 3.93Å; H525-I676 PolarHBondContact ND1-O 2.79Å; H525-I676 WeakPolarHBondContact O-CD1 3.43Å; H525-Y677 HydrophobicContact CB-CD1 4.45Å; H525-Y677 HydrophobicContact CB-CE1 3.87Å; H525-Y677 AromaticContact CD2-CD1 3.98Å; H525-Y677 AromaticContact CD2-CE1 3.72Å; H525-Y677 AromaticContact CE1-CD1 3.72Å; H525-Y677 AromaticContact CG-CD1 3.79Å; H525-Y677 AromaticContact CG-CE1 3.56Å; H525-Y677 PolarHBondContact N-OH 2.92Å; H525-Y677 AromaticContact ND1-CD1 3.62Å; H525-Y677 AromaticContact ND1-CE1 3.89Å; H525-Y677 AromaticContact NE2-CD1 3.96Å |
| 526 | A | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S485 D486 L489 V580 L581 | S485-A526 WeakPolarHBondContact OG-CA 3.44Å; D486-A526 HydrophobicContact CB-CB 4.08Å; D486-A526 WeakPolarHBondContact O-CB 3.3Å; L489-A526 HydrophobicContact CD2-CB 4.1Å; A526-V580 WeakPolarHBondContact O-CA 3.44Å; A526-L581 HydrophobicContact CB-CB 4.35Å; A526-L581 HydrophobicContact CB-CD2 4.49Å; A526-L581 PolarHBondContact N-O 2.82Å; A526-L581 PolarHBondContact O-N 2.9Å |
| 527 | L | 90.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 28 Ų | 28 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.9 | 163.4 | -69.5 | 171.7 | 0 | 0 | 0 | 109.8 | F3 F25 L484 S485 V580 I676 | F3-L527 HydrophobicContact CZ-CD1 4.25Å; F25-L527 HydrophobicContact CE1-CD1 4.31Å; F25-L527 HydrophobicContact CZ-CB 4.01Å; F25-L527 HydrophobicContact CZ-CD1 4.01Å; L484-L527 WeakPolarHBondContact CA-O 3.47Å; S485-L527 PolarHBondContact N-O 3.08Å; S485-L527 PolarHBondContact OG-N 2.86Å; L527-V580 HydrophobicContact CD2-CG2 4.24Å; L527-I676 HydrophobicContact CD2-CG2 3.86Å; L527-I676 HydrophobicContact CG-CG2 4.39Å |
| 528 | V | 92.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.7 | 179.2 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | I482 L484 M565 L575 R579 L581 I591 | I482-V528 HydrophobicContact CG2-CG1 3.73Å; L484-V528 HydrophobicContact CD2-CB 4.08Å; L484-V528 HydrophobicContact CD2-CG1 3.82Å; L484-V528 HydrophobicContact CD2-CG2 3.67Å; V528-M565 HydrophobicContact CB-CE 4.4Å; V528-M565 HydrophobicContact CG1-CE 3.54Å; V528-L575 HydrophobicContact CB-CD1 4.43Å; V528-L575 HydrophobicContact CG2-CD1 3.78Å; V528-R579 PolarHBondContact N-O 3Å; V528-L581 HydrophobicContact CG2-CB 3.79Å; V528-I591 HydrophobicContact CG1-CD1 4.41Å; V528-I591 HydrophobicContact CG2-CD1 4.23Å |
| 529 | R | 91.9 | Very high | 92.1 | Very high | 42 Ų | 42 | 28.4 Ų | 28.4 | 16% | 0.158 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.1 | 168.4 | -60.1 | -179.6 | 76.4 | 177.6 | 1.6 | 109.7 | F25 I482 E483 D556 T558 | F25-R529 HydrophobicContact CE2-CG 4.11Å; I482-R529 CarbonylContact C-O 3.58Å; I482-R529 WeakPolarHBondContact CA-O 3.47Å; E483-R529 HydrophobicContact CB-CB 4.44Å; E483-R529 PolarHBondContact N-O 2.88Å; E483-R529 PolarHBondContact O-N 2.93Å; R529-D556 IonicContact CZ-OD2 3.21Å; R529-D556 IonicContact NE-OD2 2.64Å; R529-D556 PolarHBondContact NE-OD2 3Å; R529-D556 IonicContact NH2-OD2 3.08Å; R529-D556 PolarHBondContact NH2-OD2 2.86Å; R529-T558 WeakPolarHBondContact CA-OG1 3.47Å |
| 530 | V | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124 | 172.3 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | L480 Q481 I482 I557 T558 V561 M565 V593 | L480-V530 HydrophobicContact CB-CG1 3.98Å; L480-V530 HydrophobicContact CD1-CG1 4.31Å; Q481-V530 CarbonylContact O-C 3.59Å; Q481-V530 WeakPolarHBondContact O-CA 3.46Å; I482-V530 HydrophobicContact CG1-CG2 4.42Å; V530-I557 HydrophobicContact CB-CG1 4.12Å; V530-I557 HydrophobicContact CG1-CD1 3.93Å; V530-I557 HydrophobicContact CG1-CG1 3.93Å; V530-I557 VanDerWaalsContact O-CG1 3.24Å; V530-I557 WeakPolarHBondContact O-CG1 3.17Å; V530-I557 PolarHBondContact O-N 2.88Å; V530-T558 PolarHBondContact N-OG1 3.4Å; V530-T558 PolarHBondContact O-N 2.95Å; V530-V561 HydrophobicContact CB-CG2 3.92Å; V530-V561 HydrophobicContact CG1-CG2 4.11Å; V530-V561 HydrophobicContact CG2-CG2 3.86Å; V530-M565 HydrophobicContact CG2-CE 3.67Å; V530-M565 HydrophobicContact CG2-SD 4.01Å; V530-V593 HydrophobicContact CG1-CG2 4.36Å; V530-V593 HydrophobicContact CG2-CG2 4.33Å |
| 531 | L | 94.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149 | -170.8 | -54.6 | 177.1 | 0 | 0 | 0 | 110.8 | K19 Q481 E483 Q554 V555 D556 | K19-L531 HydrophobicContact CB-CD2 4.5Å; K19-L531 HydrophobicContact CD-CD1 3.62Å; Q481-L531 HydrophobicContact CB-CB 4.37Å; Q481-L531 PolarHBondContact N-O 3.11Å; Q481-L531 PolarHBondContact O-N 3.49Å; E483-L531 HydrophobicContact CB-CD1 4.38Å; L531-Q554 HydrophobicContact CB-CB 4.49Å; L531-V555 WeakPolarHBondContact CA-O 3.27Å; L531-D556 HydrophobicContact CD2-CB 4.06Å |
| 532 | T | 95.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.8 | 169 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | P476 Q477 L480 F534 V555 I557 | P476-T532 HydrophobicContact CB-CG2 3.97Å; Q477-T532 PolarHBondContact N-OG1 3.02Å; Q477-T532 PolarHBondContact O-OG1 3.45Å; L480-T532 HydrophobicContact CD2-CG2 4.24Å; T532-F534 HydrophobicContact CG2-CD2 4.31Å; T532-F534 HydrophobicContact CG2-CE2 3.93Å; T532-V555 PolarHBondContact N-O 3.03Å; T532-V555 VanDerWaalsContact N-O 3.13Å; T532-V555 PolarHBondContact O-N 3.38Å; T532-I557 HydrophobicContact CG2-CD1 3.82Å; T532-I557 HydrophobicContact CG2-CG1 4.3Å; T532-I557 HydrophobicContact CG2-CG2 3.88Å |
| 533 | H | 93.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | trans | -90.5 | 147.7 | 163.9 | -55.4 | 110.9 | 0 | 0 | 0 | 109.6 | Q477 V535 Y547 Q554 | Q477-H533 HydrophobicContact CB-CB 4.38Å; Q477-H533 WeakPolarHBondContact CB-O 3.44Å; Q477-H533 PolarHBondContact N-O 2.9Å; Q477-H533 PolarHBondContact OE1-ND1 3.33Å; H533-V535 HydrophobicContact CB-CG1 3.82Å; H533-Y547 HydrophobicContact CB-CD1 3.92Å; H533-Y547 HydrophobicContact CB-CE1 3.96Å; H533-Y547 AromaticContact CG-CE1 3.85Å; H533-Q554 VanDerWaalsContact NE2-CG 3.31Å; H533-Q554 WeakPolarHBondContact NE2-CG 3.24Å | ||
| 534 | F | 94.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.6 | 167.2 | -84.6 | -97.9 | 0 | 0 | 0 | 108.7 | L392 T394 L397 W474 M475 P476 T532 F548 V555 I557 | L392-F534 HydrophobicContact CB-CD1 4.15Å; L392-F534 HydrophobicContact CB-CE1 4.06Å; L392-F534 HydrophobicContact CD2-CD1 4.08Å; L392-F534 HydrophobicContact CD2-CE1 4.27Å; L392-F534 HydrophobicContact CD2-CG 4.26Å; L392-F534 HydrophobicContact CG-CD1 3.98Å; L392-F534 HydrophobicContact CG-CE1 4.31Å; L392-F534 HydrophobicContact CG-CG 4.5Å; T394-F534 HydrophobicContact CG2-CE1 4.36Å; T394-F534 HydrophobicContact CG2-CZ 4.19Å; L397-F534 HydrophobicContact CD1-CZ 4.15Å; W474-F534 HydrophobicContact CB-CB 4.15Å; W474-F534 HydrophobicContact CB-CD1 4.21Å; M475-F534 WeakPolarHBondContact O-CA 3.47Å; P476-F534 HydrophobicContact CB-CE1 4.07Å; P476-F534 HydrophobicContact CB-CE2 4.45Å; P476-F534 HydrophobicContact CB-CZ 4.02Å; P476-F534 HydrophobicContact CG-CE1 4.35Å; T532-F534 HydrophobicContact CG2-CD2 4.31Å; T532-F534 HydrophobicContact CG2-CE2 3.93Å; F534-F548 HydrophobicContact CB-CB 3.84Å; F534-F548 HydrophobicContact CB-CG 4.48Å; F534-F548 PolarHBondContact O-N 2.83Å; F534-V555 HydrophobicContact CD2-CB 4.02Å; F534-V555 HydrophobicContact CD2-CG1 4.39Å; F534-V555 HydrophobicContact CD2-CG2 3.73Å; F534-V555 HydrophobicContact CE2-CB 4.05Å; F534-V555 HydrophobicContact CE2-CG1 4Å; F534-V555 HydrophobicContact CE2-CG2 4.18Å; F534-I557 HydrophobicContact CE2-CG2 4.15Å |
| 535 | V | 95.2 | Very high | 90 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157.7 | -165 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | M475 Q477 H533 T545 A546 Y547 | M475-V535 PolarHBondContact N-O 2.86Å; M475-V535 WeakPolarHBondContact O-CG2 3.48Å; M475-V535 PolarHBondContact O-N 2.9Å; Q477-V535 HydrophobicContact CB-CG2 4.17Å; H533-V535 HydrophobicContact CB-CG1 3.82Å; V535-T545 HydrophobicContact CB-CG2 3.91Å; V535-T545 HydrophobicContact CG2-CG2 4.5Å; V535-A546 CarbonylContact C-O 3.51Å; V535-A546 WeakPolarHBondContact CA-O 3.36Å; V535-Y547 HydrophobicContact CG1-CD1 3.79Å; V535-Y547 HydrophobicContact CG1-CE1 3.79Å; V535-Y547 HydrophobicContact CG1-CG 4.36Å |
| 536 | A | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 143.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V454 W474 T545 A546 | V454-A536 HydrophobicContact CG2-CB 3.67Å; W474-A536 HydrophobicContact CD2-CB 4.45Å; W474-A536 HydrophobicContact CE3-CB 3.68Å; W474-A536 HydrophobicContact CZ3-CB 3.82Å; A536-T545 VanDerWaalsContact O-CG2 3.25Å; A536-T545 WeakPolarHBondContact O-CG2 3.21Å; A536-A546 PolarHBondContact N-O 2.84Å; A536-A546 PolarHBondContact O-N 3.2Å |
| 537 | E | 93.1 | Very high | 89.9 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 139.7 | 169.9 | -64.6 | 178 | 179.8 | 0 | 0 | 110 | K451 G452 K453 V454 | K451-E537 IonicContact NZ-OE1 3.99Å; K451-E537 PolarHBondContact NZ-OE1 3.34Å; K451-E537 IonicContact NZ-OE2 3.86Å; K451-E537 PolarHBondContact NZ-OE2 3.26Å; G452-E537 WeakPolarHBondContact O-CB 3.23Å; G452-E537 PolarHBondContact O-N 2.66Å; K453-E537 WeakPolarHBondContact CA-O 3.25Å; V454-E537 PolarHBondContact N-O 3.32Å |
| 538 | Q | 90.4 | Very high | 89.9 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | trans | -90.9 | 179.9 | 177.5 | -66.6 | -146.8 | 73.3 | 0 | 0 | 111.9 | V454 D543 P544 A546 | V454-Q538 HydrophobicContact CG2-CG 4.46Å; Q538-D543 HydrophobicContact CB-CB 4.01Å; Q538-D543 HydrophobicContact CG-CB 4.42Å; Q538-P544 PolarHBondContact NE2-O 2.77Å; Q538-A546 HydrophobicContact CG-CB 3.98Å | ||
| 539 | E | 81.8 | Confident | 89.6 | Confident | 140 Ų | 140 | 56.7 Ų | 56.7 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -75.8 | -39.6 | -175.3 | -169 | 175.9 | -178.7 | 0 | 0 | 113 | K455 | K455-E539 WeakPolarHBondContact CE-OE2 3.37Å; K455-E539 IonicContact NZ-OE2 3.07Å; K455-E539 PolarHBondContact NZ-OE2 2.84Å |
| 540 | D | 82.5 | Confident | 89.4 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -91.8 | 123.2 | 164.5 | -169.7 | -29 | 0 | 0 | 0 | 109.1 | R542 D543 | D540-R542 PolarHBondContact O-N 2.89Å; D540-R542 VanDerWaalsContact OD1-CB 3.24Å; D540-R542 WeakPolarHBondContact OD1-CB 3.32Å; D540-R542 WeakPolarHBondContact OD1-CD 3.47Å; D540-R542 VanDerWaalsContact OD1-CG 3.22Å; D540-R542 WeakPolarHBondContact OD1-CG 3.39Å; D540-R542 PolarHBondContact OD1-N 2.75Å; D540-D543 PolarHBondContact O-N 3.27Å |
| 541 | P | 78.6 | Confident | 89 | Confident | 130 Ų | 130 | 59 Ų | 59 | 84% | 0.844 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -8.3 | 174.1 | -25 | 35.3 | 0 | 0 | 0 | 115.6 | ||
| 542 | R | 84.4 | Confident | 88.6 | Confident | 220 Ų | 220 | 63.2 Ų | 63.2 | 83% | 0.83 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -21.7 | 174.1 | -62.6 | 166.8 | 175.5 | -176.7 | -0.5 | 113.4 | D540 | D540-R542 PolarHBondContact O-N 2.89Å; D540-R542 VanDerWaalsContact OD1-CB 3.24Å; D540-R542 WeakPolarHBondContact OD1-CB 3.32Å; D540-R542 WeakPolarHBondContact OD1-CD 3.47Å; D540-R542 VanDerWaalsContact OD1-CG 3.22Å; D540-R542 WeakPolarHBondContact OD1-CG 3.39Å; D540-R542 PolarHBondContact OD1-N 2.75Å |
| 543 | D | 82.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -73.4 | 146.5 | 179.8 | -80.2 | -32.2 | 0 | 0 | 0 | 111.1 | Q538 D540 | Q538-D543 HydrophobicContact CB-CB 4.01Å; Q538-D543 HydrophobicContact CG-CB 4.42Å; D540-D543 PolarHBondContact O-N 3.27Å |
| 544 | P | 84.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 145 | 176.9 | 27.5 | -34.9 | 0 | 0 | 0 | 110.8 | Q538 A546 | Q538-P544 PolarHBondContact NE2-O 2.77Å; P544-A546 PolarHBondContact O-N 3.07Å |
| 545 | T | 87.5 | Confident | 88.2 | Confident | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 130.9 | 177.3 | -39.5 | 0 | 0 | 0 | 0 | 111 | V535 A536 Y547 | V535-T545 HydrophobicContact CB-CG2 3.91Å; V535-T545 HydrophobicContact CG2-CG2 4.5Å; A536-T545 VanDerWaalsContact O-CG2 3.25Å; A536-T545 WeakPolarHBondContact O-CG2 3.21Å; T545-Y547 WeakPolarHBondContact O-CD2 3.12Å; T545-Y547 WeakPolarHBondContact O-CE2 3.38Å |
| 546 | A | 92.4 | Very high | 88.1 | Confident | 17 Ų | 17 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 149.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | V454 W474 V535 A536 Q538 P544 | V454-A546 HydrophobicContact CG2-CB 3.65Å; W474-A546 HydrophobicContact CH2-CB 4.2Å; W474-A546 HydrophobicContact CZ3-CB 3.92Å; V535-A546 CarbonylContact C-O 3.51Å; V535-A546 WeakPolarHBondContact CA-O 3.36Å; A536-A546 PolarHBondContact N-O 2.84Å; A536-A546 PolarHBondContact O-N 3.2Å; Q538-A546 HydrophobicContact CG-CB 3.98Å; P544-A546 PolarHBondContact O-N 3.07Å |
| 547 | Y | 91.6 | Very high | 88.1 | Confident | 82 Ų | 82 | 63 Ų | 63 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.9 | 179.2 | -68.2 | -103.5 | 0 | 0 | 0 | 110.4 | H533 V535 T545 L549 G550 | H533-Y547 HydrophobicContact CB-CD1 3.92Å; H533-Y547 HydrophobicContact CB-CE1 3.96Å; H533-Y547 AromaticContact CG-CE1 3.85Å; V535-Y547 HydrophobicContact CG1-CD1 3.79Å; V535-Y547 HydrophobicContact CG1-CE1 3.79Å; V535-Y547 HydrophobicContact CG1-CG 4.36Å; T545-Y547 WeakPolarHBondContact O-CD2 3.12Å; T545-Y547 WeakPolarHBondContact O-CE2 3.38Å; Y547-L549 PolarHBondContact O-N 3.39Å; Y547-L549 VanDerWaalsContact O-N 3.08Å; Y547-G550 WeakPolarHBondContact CB-O 3.45Å; Y547-G550 PolarHBondContact O-N 2.95Å |
| 548 | F | 90.6 | Very high | 88.1 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.6 | -174.7 | 171.8 | -121.8 | 0 | 0 | 0 | 114.8 | V39 L41 E390 L392 W474 F534 | V39-F548 HydrophobicContact CG1-CE1 4.45Å; L41-F548 HydrophobicContact CD2-CE1 4.16Å; L41-F548 HydrophobicContact CD2-CZ 3.87Å; E390-F548 WeakPolarHBondContact OE2-CE2 3.31Å; L392-F548 HydrophobicContact CD1-CD2 4.16Å; L392-F548 HydrophobicContact CD1-CE1 4.25Å; L392-F548 HydrophobicContact CD1-CE2 3.8Å; L392-F548 HydrophobicContact CD1-CZ 3.85Å; L392-F548 HydrophobicContact CD2-CD1 4.07Å; L392-F548 HydrophobicContact CD2-CE1 3.84Å; L392-F548 HydrophobicContact CD2-CZ 4.24Å; W474-F548 AromaticContact CD1-CD2 3.91Å; W474-F548 HydrophobicContact CD2-CB 3.81Å; W474-F548 HydrophobicContact CD2-CD2 4.18Å; W474-F548 HydrophobicContact CD2-CG 4.41Å; W474-F548 AromaticContact CE2-CD2 3.82Å; W474-F548 HydrophobicContact CE3-CB 3.91Å; W474-F548 HydrophobicContact CG-CB 4.17Å; W474-F548 HydrophobicContact CG-CD2 4.22Å; W474-F548 HydrophobicContact CG-CG 4.45Å; W474-F548 HydrophobicContact CZ2-CD2 4.35Å; W474-F548 HydrophobicContact CZ3-CB 4.34Å; W474-F548 AromaticContact NE1-CD2 3.63Å; F534-F548 HydrophobicContact CB-CB 3.84Å; F534-F548 HydrophobicContact CB-CG 4.48Å; F534-F548 PolarHBondContact O-N 2.83Å |
| 549 | L | 86.3 | Confident | 88.2 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 4.7 | 179.7 | -68.2 | 171.5 | 0 | 0 | 0 | 113.7 | L18 V39 Y547 W553 S637 R639 | L18-L549 HydrophobicContact CD1-CD1 3.79Å; L18-L549 HydrophobicContact CD2-CD1 3.44Å; L18-L549 VanDerWaalsContact CD2-CD1 3.44Å; L18-L549 HydrophobicContact CG-CD1 4.27Å; V39-L549 HydrophobicContact CB-CD1 4.47Å; V39-L549 HydrophobicContact CG1-CD1 4.2Å; V39-L549 HydrophobicContact CG2-CD2 4.3Å; Y547-L549 PolarHBondContact O-N 3.39Å; Y547-L549 VanDerWaalsContact O-N 3.08Å; L549-W553 HydrophobicContact CB-CB 3.7Å; L549-W553 HydrophobicContact CB-CG 4.17Å; L549-W553 HydrophobicContact CD1-CB 4.35Å; L549-W553 VanDerWaalsContact O-CD1 3.28Å; L549-S637 PolarHBondContact O-OG 2.99Å; L549-R639 HydrophobicContact CD2-CB 3.82Å |
| 550 | G | 87.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | trans | 97.1 | 162.4 | -162.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y547 D552 | Y547-G550 WeakPolarHBondContact CB-O 3.45Å; Y547-G550 PolarHBondContact O-N 2.95Å; G550-D552 PolarHBondContact O-N 2.87Å | ||
| 551 | S | 87.1 | Confident | 89.3 | Confident | 60 Ų | 60 | 54 Ų | 54 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.5 | 176.7 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | W553 | S551-W553 PolarHBondContact O-N 2.76Š|
| 552 | D | 85.6 | Confident | 90 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 8.5 | -166.7 | -49.3 | -14.7 | 0 | 0 | 0 | 112.1 | E20 A21 G550 | E20-D552 CarbonylContact C-O 3.59Å; E20-D552 VanDerWaalsContact CA-O 3.29Å; E20-D552 WeakPolarHBondContact CA-O 3.22Å; A21-D552 PolarHBondContact N-O 2.99Å; G550-D552 PolarHBondContact O-N 2.87Å |
| 553 | W | 89 | Confident | 90.3 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 108.5 | -174.5 | -67.1 | 98.7 | 0 | 0 | 0 | 112.7 | L18 E20 P37 L549 S551 S634 G636 | L18-W553 HydrophobicContact CB-CE3 4.04Å; L18-W553 HydrophobicContact CB-CZ3 4.45Å; L18-W553 HydrophobicContact CD1-CE3 4.1Å; E20-W553 HydrophobicContact CB-CE3 4.41Å; E20-W553 HydrophobicContact CB-CH2 4.05Å; E20-W553 HydrophobicContact CB-CZ3 3.94Å; E20-W553 HydrophobicContact CG-CH2 3.91Å; E20-W553 HydrophobicContact CG-CZ2 4.04Å; E20-W553 HydrophobicContact CG-CZ3 4.23Å; P37-W553 HydrophobicContact CB-CH2 4.47Å; P37-W553 HydrophobicContact CB-CZ3 3.82Å; P37-W553 HydrophobicContact CG-CZ3 4.07Å; L549-W553 HydrophobicContact CB-CB 3.7Å; L549-W553 HydrophobicContact CB-CG 4.17Å; L549-W553 HydrophobicContact CD1-CB 4.35Å; L549-W553 VanDerWaalsContact O-CD1 3.28Å; S551-W553 PolarHBondContact O-N 2.76Å; W553-S634 WeakPolarHBondContact CZ2-OG 3.41Å; W553-G636 PolarHBondContact NE1-O 2.88Å |
| 554 | Q | 92.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 147 | 168.6 | -66.7 | -173.3 | -43.2 | 0 | 0 | 110.8 | L18 K19 L531 H533 | L18-Q554 CarbonylContact C-O 3.58Å; L18-Q554 VanDerWaalsContact CA-O 3.24Å; L18-Q554 WeakPolarHBondContact CA-O 3.47Å; K19-Q554 HydrophobicContact CB-CB 4.4Å; K19-Q554 PolarHBondContact N-O 2.95Å; K19-Q554 PolarHBondContact O-N 2.89Å; L531-Q554 HydrophobicContact CB-CB 4.49Å; H533-Q554 VanDerWaalsContact NE2-CG 3.31Å; H533-Q554 WeakPolarHBondContact NE2-CG 3.24Å |
| 555 | V | 94.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.8 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | L16 L18 L531 T532 F534 I557 | L16-V555 HydrophobicContact CB-CG1 4.03Å; L16-V555 HydrophobicContact CD1-CG1 3.94Å; L16-V555 HydrophobicContact CD2-CG1 4.01Å; L16-V555 HydrophobicContact CG-CG1 4.22Å; L18-V555 HydrophobicContact CD2-CG2 3.92Å; L531-V555 WeakPolarHBondContact CA-O 3.27Å; T532-V555 PolarHBondContact N-O 3.03Å; T532-V555 VanDerWaalsContact N-O 3.13Å; T532-V555 PolarHBondContact O-N 3.38Å; F534-V555 HydrophobicContact CD2-CB 4.02Å; F534-V555 HydrophobicContact CD2-CG1 4.39Å; F534-V555 HydrophobicContact CD2-CG2 3.73Å; F534-V555 HydrophobicContact CE2-CB 4.05Å; F534-V555 HydrophobicContact CE2-CG1 4Å; F534-V555 HydrophobicContact CE2-CG2 4.18Å; V555-I557 HydrophobicContact CB-CG2 4.39Å; V555-I557 HydrophobicContact CG1-CG2 3.75Å; V555-I557 PolarHBondContact O-N 3.24Å |
| 556 | D | 93.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.2 | 170.2 | -170.8 | -35.8 | 0 | 0 | 0 | 110.2 | F17 R529 L531 T558 | F17-D556 HydrophobicContact CB-CB 4Å; F17-D556 PolarHBondContact O-N 3.48Å; R529-D556 IonicContact CZ-OD2 3.21Å; R529-D556 IonicContact NE-OD2 2.64Å; R529-D556 PolarHBondContact NE-OD2 3Å; R529-D556 IonicContact NH2-OD2 3.08Å; R529-D556 PolarHBondContact NH2-OD2 2.86Å; L531-D556 HydrophobicContact CD2-CB 4.06Å; D556-T558 WeakPolarHBondContact OD1-CB 3.15Å; D556-T558 PolarHBondContact OD1-N 3.35Å; D556-T558 PolarHBondContact OD1-OG1 2.9Å |
| 557 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -97.8 | 7.2 | -179.2 | 59.3 | 164 | 0 | 0 | 0 | 112.5 | L397 L480 V530 T532 F534 V555 R559 L560 V561 | L397-I557 HydrophobicContact CD1-CB 4.18Å; L397-I557 HydrophobicContact CD1-CD1 3.84Å; L397-I557 HydrophobicContact CD1-CG2 3.87Å; L397-I557 HydrophobicContact CD2-CD1 4.06Å; L480-I557 HydrophobicContact CB-CD1 4.48Å; L480-I557 HydrophobicContact CD1-CD1 3.81Å; L480-I557 HydrophobicContact CD2-CD1 3.75Å; L480-I557 HydrophobicContact CG-CD1 4.22Å; V530-I557 HydrophobicContact CB-CG1 4.12Å; V530-I557 HydrophobicContact CG1-CD1 3.93Å; V530-I557 HydrophobicContact CG1-CG1 3.93Å; V530-I557 VanDerWaalsContact O-CG1 3.24Å; V530-I557 WeakPolarHBondContact O-CG1 3.17Å; V530-I557 PolarHBondContact O-N 2.88Å; T532-I557 HydrophobicContact CG2-CD1 3.82Å; T532-I557 HydrophobicContact CG2-CG1 4.3Å; T532-I557 HydrophobicContact CG2-CG2 3.88Å; F534-I557 HydrophobicContact CE2-CG2 4.15Å; V555-I557 HydrophobicContact CB-CG2 4.39Å; V555-I557 HydrophobicContact CG1-CG2 3.75Å; V555-I557 PolarHBondContact O-N 3.24Å; I557-R559 PolarHBondContact O-N 2.88Å; I557-R559 VanDerWaalsContact O-N 3.11Å; I557-L560 HydrophobicContact CB-CD1 4.24Å; I557-L560 HydrophobicContact CG2-CD1 4.1Å; I557-L560 WeakPolarHBondContact O-CA 3.37Å; I557-L560 WeakPolarHBondContact O-CB 3.15Å; I557-L560 PolarHBondContact O-N 2.67Å; I557-V561 HydrophobicContact CD1-CG1 4.09Å; I557-V561 PolarHBondContact O-N 2.76Å; I557-V561 VanDerWaalsContact O-N 3.1Å | ||
| 558 | T | 93.4 | Very high | 92 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.9 | -39.1 | -176.5 | -43.3 | 0 | 0 | 0 | 0 | 111.9 | R529 V530 D556 L560 R562 M565 G578 | R529-T558 WeakPolarHBondContact CA-OG1 3.47Å; V530-T558 PolarHBondContact N-OG1 3.4Å; V530-T558 PolarHBondContact O-N 2.95Å; D556-T558 WeakPolarHBondContact OD1-CB 3.15Å; D556-T558 PolarHBondContact OD1-N 3.35Å; D556-T558 PolarHBondContact OD1-OG1 2.9Å; T558-L560 VanDerWaalsContact C-N 3.33Å; T558-L560 PolarHBondContact O-N 3.08Å; T558-R562 WeakPolarHBondContact O-CB 3.34Å; T558-R562 PolarHBondContact O-N 3.44Å; T558-R562 VanDerWaalsContact O-N 3.11Å; T558-M565 HydrophobicContact CG2-SD 4.48Å; T558-G578 WeakPolarHBondContact CG2-O 3.25Å |
| 559 | R | 91.6 | Very high | 92.2 | Very high | 109 Ų | 109 | 50 Ų | 50 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 176.9 | -66.2 | 178.4 | 77.2 | -152.1 | 15.5 | 113.7 | Y15 I557 | Y15-R559 PolarHBondContact OH-NH1 2.72Å; Y15-R559 PolarHBondContact OH-NH2 3Å; I557-R559 PolarHBondContact O-N 2.88Å; I557-R559 VanDerWaalsContact O-N 3.11Å |
| 560 | L | 93.8 | Very high | 92.5 | Very high | 50 Ų | 50 | 53 Ų | 53 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -77.3 | -48.1 | 179.4 | -56.9 | -179.2 | 0 | 0 | 0 | 110.7 | L16 T394 L397 T398 I557 T558 | L16-L560 HydrophobicContact CD2-CD1 4.41Å; T394-L560 HydrophobicContact CG2-CD1 4.16Å; L397-L560 HydrophobicContact CD1-CD1 4.16Å; T398-L560 HydrophobicContact CG2-CB 3.94Å; T398-L560 HydrophobicContact CG2-CD2 4.18Å; T398-L560 HydrophobicContact CG2-CG 4.49Å; I557-L560 HydrophobicContact CB-CD1 4.24Å; I557-L560 HydrophobicContact CG2-CD1 4.1Å; I557-L560 WeakPolarHBondContact O-CA 3.37Å; I557-L560 WeakPolarHBondContact O-CB 3.15Å; I557-L560 PolarHBondContact O-N 2.67Å; T558-L560 VanDerWaalsContact C-N 3.33Å; T558-L560 PolarHBondContact O-N 3.08Å |
| 561 | V | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -86.3 | -5 | -173.9 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | L397 L480 V530 I557 Y563 F564 M565 V593 | L397-V561 HydrophobicContact CB-CG1 4.16Å; L397-V561 HydrophobicContact CD2-CG1 4.3Å; L480-V561 HydrophobicContact CD1-CG1 4.42Å; V530-V561 HydrophobicContact CB-CG2 3.92Å; V530-V561 HydrophobicContact CG1-CG2 4.11Å; V530-V561 HydrophobicContact CG2-CG2 3.86Å; I557-V561 HydrophobicContact CD1-CG1 4.09Å; I557-V561 PolarHBondContact O-N 2.76Å; I557-V561 VanDerWaalsContact O-N 3.1Å; V561-Y563 PolarHBondContact O-N 2.73Å; V561-F564 PolarHBondContact O-N 3.38Å; V561-M565 HydrophobicContact CG2-CG 4.14Å; V561-M565 HydrophobicContact CG2-SD 4.02Å; V561-M565 PolarHBondContact O-N 2.91Å; V561-V593 HydrophobicContact CB-CG1 3.93Å; V561-V593 HydrophobicContact CG1-CG1 4.13Å; V561-V593 HydrophobicContact CG2-CG1 4.34Å |
| 562 | R | 92.5 | Very high | 93.1 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -29.9 | -172.3 | 69.9 | -179.6 | -174.3 | 176.7 | -2.4 | 116.2 | T558 | T558-R562 WeakPolarHBondContact O-CB 3.34Å; T558-R562 PolarHBondContact O-N 3.44Å; T558-R562 VanDerWaalsContact O-N 3.11Å |
| 563 | Y | 91.9 | Very high | 93.5 | Very high | 167 Ų | 167 | 52.6 Ų | 52.6 | 66% | 0.655 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.6 | -179.3 | -64.9 | -65.1 | 0 | 0 | 0 | 113.9 | V561 | V561-Y563 PolarHBondContact O-N 2.73Š|
| 564 | F | 93.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 25% | 0.25 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.7 | -179.5 | -46.8 | -69 | 0 | 0 | 0 | 112.3 | V561 F594 P596 | V561-F564 PolarHBondContact O-N 3.38Å; F564-F594 VanDerWaalsContact CB-O 3.32Å; F564-F594 WeakPolarHBondContact CB-O 3.39Å; F564-F594 PolarHBondContact O-N 2.79Å; F564-P596 HydrophobicContact CD1-CB 4.09Å; F564-P596 HydrophobicContact CD2-CB 4.27Å; F564-P596 HydrophobicContact CE1-CB 3.69Å; F564-P596 HydrophobicContact CE2-CB 3.89Å; F564-P596 HydrophobicContact CG-CB 4.38Å; F564-P596 HydrophobicContact CZ-CB 3.59Å |
| 565 | M | 94.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.069 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.3 | 169.5 | -66.1 | 170.5 | 80.1 | 0 | 0 | 110.9 | V528 V530 T558 V561 L575 Q592 V593 | V528-M565 HydrophobicContact CB-CE 4.4Å; V528-M565 HydrophobicContact CG1-CE 3.54Å; V530-M565 HydrophobicContact CG2-CE 3.67Å; V530-M565 HydrophobicContact CG2-SD 4.01Å; T558-M565 HydrophobicContact CG2-SD 4.48Å; V561-M565 HydrophobicContact CG2-CG 4.14Å; V561-M565 HydrophobicContact CG2-SD 4.02Å; V561-M565 PolarHBondContact O-N 2.91Å; M565-L575 HydrophobicContact CB-CD2 3.63Å; M565-L575 HydrophobicContact CE-CD2 3.99Å; M565-L575 HydrophobicContact SD-CD2 4.49Å; M565-Q592 WeakPolarHBondContact CA-O 3.19Å; M565-V593 HydrophobicContact CG-CG2 4.12Å |
| 566 | K | 93.6 | Very high | 93.6 | Very high | 122 Ų | 122 | 63.6 Ų | 63.6 | 53% | 0.53 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155.1 | 176 | -62.9 | 176.1 | -173.9 | 164.7 | 0 | 110.7 | I591 Q592 F594 | K566-I591 WeakPolarHBondContact O-CA 3.36Å; K566-Q592 PolarHBondContact N-O 2.7Å; K566-Q592 PolarHBondContact O-N 2.86Å; K566-F594 HydrophobicContact CB-CD2 4.44Å; K566-F594 HydrophobicContact CB-CE2 4.13Å; K566-F594 HydrophobicContact CD-CD2 4Å; K566-F594 HydrophobicContact CD-CE2 3.94Å; K566-F594 HydrophobicContact CG-CD2 4.34Å; K566-F594 HydrophobicContact CG-CE2 4.39Å |
| 567 | V | 95.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 71.3 Ų | 71.3 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.4 | 167.7 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | A573 L575 L581 T589 N590 I591 | V567-A573 HydrophobicContact CG1-CB 4.44Å; V567-L575 HydrophobicContact CG2-CB 3.83Å; V567-L581 HydrophobicContact CG2-CD1 4.15Å; V567-T589 HydrophobicContact CG1-CG2 3.75Å; V567-N590 WeakPolarHBondContact CA-O 3.01Å; V567-I591 HydrophobicContact CG2-CG1 4.39Å |
| 568 | E | 95.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -65.5 | -42.7 | -173.5 | -171.8 | 169.9 | 169.4 | 0 | 0 | 112.6 | N590 Q592 K604 | E568-N590 HydrophobicContact CB-CB 4.3Å; E568-N590 PolarHBondContact N-O 3.33Å; E568-N590 VanDerWaalsContact OE2-CB 3.28Å; E568-N590 WeakPolarHBondContact OE2-CB 3.37Å; E568-N590 PolarHBondContact OE2-ND2 2.89Å; E568-Q592 PolarHBondContact OE2-NE2 2.86Å; E568-K604 IonicContact OE1-NZ 3.99Å; E568-K604 IonicContact OE2-NZ 2.72Å; E568-K604 PolarHBondContact OE2-NZ 2.89Å |
| 569 | D | 95.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 76.5 Ų | 76.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -118.4 | 103.7 | 167.8 | -167.9 | -21.5 | 0 | 0 | 0 | 110.9 | R571 V572 T589 | D569-R571 PolarHBondContact O-N 3.29Å; D569-R571 WeakPolarHBondContact OD1-CB 3.41Å; D569-R571 VanDerWaalsContact OD1-CG 3.27Å; D569-R571 WeakPolarHBondContact OD1-CG 3.1Å; D569-R571 IonicContact OD1-CZ 3.21Å; D569-R571 PolarHBondContact OD1-N 3.26Å; D569-R571 IonicContact OD1-NE 2.79Å; D569-R571 PolarHBondContact OD1-NE 3Å; D569-R571 IonicContact OD1-NH2 2.75Å; D569-R571 IonicContact OD2-CZ 3.46Å; D569-R571 VanDerWaalsContact OD2-CZ 3.28Å; D569-R571 IonicContact OD2-NE 2.78Å; D569-R571 PolarHBondContact OD2-NE 2.88Å; D569-R571 VanDerWaalsContact OD2-NE 3.08Å; D569-R571 IonicContact OD2-NH2 3.19Å; D569-R571 PolarHBondContact OD2-NH2 2.83Å; D569-V572 HydrophobicContact CB-CG2 4.26Å; D569-V572 PolarHBondContact O-N 2.83Å; D569-T589 WeakPolarHBondContact CB-OG1 3.33Å; D569-T589 PolarHBondContact N-OG1 2.92Å; D569-T589 PolarHBondContact O-OG1 3.19Å | ||
| 570 | P | 93.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 72.4 Ų | 72.4 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -1.1 | -179.8 | 31.3 | -35.9 | 0 | 0 | 0 | 114.1 | A573 R584 | P570-A573 CarbonylContact C-O 3.59Å; P570-A573 VanDerWaalsContact CA-O 3.32Å; P570-A573 WeakPolarHBondContact CA-O 3.45Å; P570-R584 PolarHBondContact O-NH1 2.87Å |
| 571 | R | 91.9 | Very high | 92.3 | Very high | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -46.1 | 170 | -55.3 | 172.1 | -67.9 | -178.9 | 3.5 | 110.4 | D569 R584 D585 | D569-R571 PolarHBondContact O-N 3.29Å; D569-R571 WeakPolarHBondContact OD1-CB 3.41Å; D569-R571 VanDerWaalsContact OD1-CG 3.27Å; D569-R571 WeakPolarHBondContact OD1-CG 3.1Å; D569-R571 IonicContact OD1-CZ 3.21Å; D569-R571 PolarHBondContact OD1-N 3.26Å; D569-R571 IonicContact OD1-NE 2.79Å; D569-R571 PolarHBondContact OD1-NE 3Å; D569-R571 IonicContact OD1-NH2 2.75Å; D569-R571 IonicContact OD2-CZ 3.46Å; D569-R571 VanDerWaalsContact OD2-CZ 3.28Å; D569-R571 IonicContact OD2-NE 2.78Å; D569-R571 PolarHBondContact OD2-NE 2.88Å; D569-R571 VanDerWaalsContact OD2-NE 3.08Å; D569-R571 IonicContact OD2-NH2 3.19Å; D569-R571 PolarHBondContact OD2-NH2 2.83Å; R571-R584 WeakPolarHBondContact O-CB 3.49Å; R571-D585 WeakPolarHBondContact O-CB 3.24Å; R571-D585 PolarHBondContact O-N 2.95Å |
| 572 | V | 93.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -51 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | D569 R584 D585 T589 V609 | D569-V572 HydrophobicContact CB-CG2 4.26Å; D569-V572 PolarHBondContact O-N 2.83Å; V572-R584 PolarHBondContact O-N 2.85Å; V572-D585 WeakPolarHBondContact CA-O 3.29Å; V572-D585 PolarHBondContact O-N 3.14Å; V572-D585 VanDerWaalsContact O-O 3.1Å; V572-T589 HydrophobicContact CB-CG2 3.88Å; V572-T589 HydrophobicContact CG1-CG2 3.65Å; V572-V609 HydrophobicContact CG1-CB 4.1Å; V572-V609 HydrophobicContact CG1-CG2 3.67Å |
| 573 | A | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 159.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V567 P570 L581 S582 T589 V609 | V567-A573 HydrophobicContact CG1-CB 4.44Å; P570-A573 CarbonylContact C-O 3.59Å; P570-A573 VanDerWaalsContact CA-O 3.32Å; P570-A573 WeakPolarHBondContact CA-O 3.45Å; A573-L581 HydrophobicContact CB-CD1 3.95Å; A573-L581 HydrophobicContact CB-CG 4.48Å; A573-S582 CarbonylContact C-O 3.56Å; A573-S582 VanDerWaalsContact CA-O 3.3Å; A573-S582 WeakPolarHBondContact CA-O 3.24Å; A573-T589 HydrophobicContact CB-CG2 3.9Å; A573-V609 HydrophobicContact CB-CG2 4.48Å |
| 574 | R | 93.4 | Very high | 92.1 | Very high | 152 Ų | 152 | 62.6 Ų | 62.6 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 125.9 | 178.9 | 178.4 | 180 | -178.8 | -166.3 | -0 | 110.9 | S582 R584 | R574-S582 PolarHBondContact N-O 2.87Å; R574-S582 PolarHBondContact O-N 2.99Å; R574-S582 PolarHBondContact O-OG 3.2Å; R574-R584 HydrophobicContact CB-CG 4.33Å |
| 575 | L | 93.8 | Very high | 92 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.4 | 170.1 | -173.1 | 61.6 | 0 | 0 | 0 | 110.2 | V528 M565 V567 V580 | V528-L575 HydrophobicContact CB-CD1 4.43Å; V528-L575 HydrophobicContact CG2-CD1 3.78Å; M565-L575 HydrophobicContact CB-CD2 3.63Å; M565-L575 HydrophobicContact CE-CD2 3.99Å; M565-L575 HydrophobicContact SD-CD2 4.49Å; V567-L575 HydrophobicContact CG2-CB 3.83Å; L575-V580 CarbonylContact C-O 3.58Å |
| 576 | Q | 89.7 | Confident | 92 | Very high | 76 Ų | 76 | 68 Ų | 68 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125 | 179.2 | -50.9 | -174.5 | 32.1 | 0 | 0 | 108.6 | G578 R579 V580 S582 | Q576-G578 PolarHBondContact O-N 3.03Å; Q576-R579 PolarHBondContact O-N 3.49Å; Q576-V580 HydrophobicContact CB-CB 4.36Å; Q576-V580 WeakPolarHBondContact CB-O 3.39Å; Q576-V580 PolarHBondContact N-O 2.73Å; Q576-V580 PolarHBondContact O-N 2.91Å; Q576-V580 VanDerWaalsContact O-N 3.08Å; Q576-S582 PolarHBondContact NE2-OG 2.9Å |
| 577 | E | 83.1 | Confident | 92 | Very high | 182 Ų | 182 | 63.5 Ų | 63.5 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 15.6 | -179.7 | -53.5 | -159.8 | 157.8 | 0 | 0 | 117 | R579 | E577-R579 VanDerWaalsContact C-N 3.27Å; E577-R579 PolarHBondContact O-N 2.85Å |
| 578 | G | 83.8 | Confident | 92.1 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T558 Q576 | T558-G578 WeakPolarHBondContact CG2-O 3.25Å; Q576-G578 PolarHBondContact O-N 3.03Å |
| 579 | R | 87.1 | Confident | 92.2 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -38.1 | -175.6 | -70.7 | -169.1 | 176.4 | -162.1 | 2.8 | 115.3 | N7 V528 Q576 E577 | N7-R579 PolarHBondContact OD1-NH1 3.11Å; V528-R579 PolarHBondContact N-O 3Å; Q576-R579 PolarHBondContact O-N 3.49Å; E577-R579 VanDerWaalsContact C-N 3.27Å; E577-R579 PolarHBondContact O-N 2.85Å |
| 580 | V | 92.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.4 | -174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | H525 A526 L527 L575 Q576 I676 | H525-V580 HydrophobicContact CB-CG1 4.07Å; A526-V580 WeakPolarHBondContact O-CA 3.44Å; L527-V580 HydrophobicContact CD2-CG2 4.24Å; L575-V580 CarbonylContact C-O 3.58Å; Q576-V580 HydrophobicContact CB-CB 4.36Å; Q576-V580 WeakPolarHBondContact CB-O 3.39Å; Q576-V580 PolarHBondContact N-O 2.73Å; Q576-V580 PolarHBondContact O-N 2.91Å; Q576-V580 VanDerWaalsContact O-N 3.08Å; V580-I676 HydrophobicContact CG1-CB 4.16Å; V580-I676 HydrophobicContact CG2-CB 4.3Å; V580-I676 HydrophobicContact CG2-CG2 4.5Å |
| 581 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.7 | 173.8 | -179.4 | 71.1 | 0 | 0 | 0 | 109.3 | L489 H525 A526 V528 V567 A573 I591 V607 | L489-L581 HydrophobicContact CD1-CD2 4.28Å; L489-L581 HydrophobicContact CD1-CG 4.4Å; H525-L581 CarbonylContact C-O 3.57Å; H525-L581 VanDerWaalsContact CA-O 3.23Å; H525-L581 WeakPolarHBondContact CA-O 3.27Å; A526-L581 HydrophobicContact CB-CB 4.35Å; A526-L581 HydrophobicContact CB-CD2 4.49Å; A526-L581 PolarHBondContact N-O 2.82Å; A526-L581 PolarHBondContact O-N 2.9Å; V528-L581 HydrophobicContact CG2-CB 3.79Å; V567-L581 HydrophobicContact CG2-CD1 4.15Å; A573-L581 HydrophobicContact CB-CD1 3.95Å; A573-L581 HydrophobicContact CB-CG 4.48Å; L581-I591 HydrophobicContact CD1-CD1 4.02Å; L581-I591 HydrophobicContact CD1-CG1 4.23Å; L581-I591 HydrophobicContact CD2-CD1 3.75Å; L581-I591 HydrophobicContact CG-CD1 4.37Å; L581-V607 HydrophobicContact CD2-CB 4.13Å; L581-V607 HydrophobicContact CD2-CG1 4.1Å; L581-V607 HydrophobicContact CD2-CG2 3.75Å |
| 582 | S | 92.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.1 | 175.4 | 57 | 0 | 0 | 0 | 0 | 112.1 | H525 A573 R574 Q576 | H525-S582 WeakPolarHBondContact CD2-CB 3.28Å; H525-S582 WeakPolarHBondContact NE2-CB 3.34Å; A573-S582 CarbonylContact C-O 3.56Å; A573-S582 VanDerWaalsContact CA-O 3.3Å; A573-S582 WeakPolarHBondContact CA-O 3.24Å; R574-S582 PolarHBondContact N-O 2.87Å; R574-S582 PolarHBondContact O-N 2.99Å; R574-S582 PolarHBondContact O-OG 3.2Å; Q576-S582 PolarHBondContact NE2-OG 2.9Å |
| 583 | G | 91.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 150.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L523 Q524 | L523-G583 VanDerWaalsContact CD1-C 3.43Å; Q524-G583 PolarHBondContact O-N 3.26Å |
| 584 | R | 89.6 | Confident | 92.7 | Very high | 111 Ų | 111 | 52.8 Ų | 52.8 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | trans | -136.7 | -59 | -178.4 | -72.2 | -169.2 | 68.8 | -148.5 | -4.5 | 113.2 | L523 P570 R571 V572 R574 | L523-R584 VanDerWaalsContact CD1-C 3.49Å; L523-R584 VanDerWaalsContact CD1-N 3.34Å; L523-R584 WeakPolarHBondContact CD1-O 3.4Å; P570-R584 PolarHBondContact O-NH1 2.87Å; R571-R584 WeakPolarHBondContact O-CB 3.49Å; V572-R584 PolarHBondContact O-N 2.85Å; R574-R584 HydrophobicContact CB-CG 4.33Å | ||
| 585 | D | 91.5 | Very high | 92.7 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -128.1 | 158.9 | 176.8 | -68.1 | -50.5 | 0 | 0 | 0 | 109.5 | R571 V572 V609 | R571-D585 WeakPolarHBondContact O-CB 3.24Å; R571-D585 PolarHBondContact O-N 2.95Å; V572-D585 WeakPolarHBondContact CA-O 3.29Å; V572-D585 PolarHBondContact O-N 3.14Å; V572-D585 VanDerWaalsContact O-O 3.1Å; D585-V609 WeakPolarHBondContact O-CB 3.43Å; D585-V609 WeakPolarHBondContact O-CG1 3.4Å |
| 586 | F | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -71.1 | 146.3 | -178.6 | -50.9 | -54.1 | 0 | 0 | 0 | 113.1 | Q491 V609 V610 D611 | Q491-F586 HydrophobicContact CG-CE1 4.01Å; Q491-F586 HydrophobicContact CG-CZ 4.37Å; F586-V609 WeakPolarHBondContact CA-O 3.43Å; F586-V609 HydrophobicContact CD1-CG1 4.45Å; F586-V610 VanDerWaalsContact CD1-C 3.44Å; F586-V610 WeakPolarHBondContact CD1-O 3.35Å; F586-V610 VanDerWaalsContact CE1-O 3.3Å; F586-V610 WeakPolarHBondContact CE1-O 3.41Å; F586-D611 HydrophobicContact CD1-CB 4.16Å; F586-D611 HydrophobicContact CD2-CB 4.29Å; F586-D611 VanDerWaalsContact CE1-CA 3.44Å; F586-D611 HydrophobicContact CE1-CB 3.78Å; F586-D611 HydrophobicContact CE2-CB 3.91Å; F586-D611 WeakPolarHBondContact CE2-OD1 3.18Å; F586-D611 HydrophobicContact CG-CB 4.4Å; F586-D611 HydrophobicContact CZ-CB 3.63Å; F586-D611 WeakPolarHBondContact CZ-OD1 3.28Å |
| 587 | G | 95.4 | Very high | 92.7 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.3 | -173.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | V609 | G587-V609 PolarHBondContact N-O 2.87Å; G587-V609 PolarHBondContact O-N 2.81Å |
| 588 | T | 97.2 | Very high | 93 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.5 | 172.9 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | V607 | T588-V607 WeakPolarHBondContact CA-O 3.32Å |
| 589 | T | 96.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 175.6 | 176.5 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | V567 D569 V572 A573 V607 | V567-T589 HydrophobicContact CG1-CG2 3.75Å; D569-T589 WeakPolarHBondContact CB-OG1 3.33Å; D569-T589 PolarHBondContact N-OG1 2.92Å; D569-T589 PolarHBondContact O-OG1 3.19Å; V572-T589 HydrophobicContact CB-CG2 3.88Å; V572-T589 HydrophobicContact CG1-CG2 3.65Å; A573-T589 HydrophobicContact CB-CG2 3.9Å; T589-V607 HydrophobicContact CG2-CG1 3.51Å; T589-V607 PolarHBondContact N-O 3.1Å; T589-V607 PolarHBondContact O-N 2.84Å |
| 590 | N | 96.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.7 | 179.9 | -55.4 | -79.6 | 0 | 0 | 0 | 111.1 | V567 E568 Q592 K604 T605 T606 | V567-N590 WeakPolarHBondContact CA-O 3.01Å; E568-N590 HydrophobicContact CB-CB 4.3Å; E568-N590 PolarHBondContact N-O 3.33Å; E568-N590 VanDerWaalsContact OE2-CB 3.28Å; E568-N590 WeakPolarHBondContact OE2-CB 3.37Å; E568-N590 PolarHBondContact OE2-ND2 2.89Å; N590-Q592 HydrophobicContact CB-CG 4.36Å; N590-K604 HydrophobicContact CB-CD 4.43Å; N590-K604 HydrophobicContact CB-CG 4.12Å; N590-K604 VanDerWaalsContact ND2-CE 3.34Å; N590-K604 WeakPolarHBondContact ND2-CE 3.2Å; N590-K604 PolarHBondContact ND2-NZ 3Å; N590-T605 CarbonylContact C-O 3.57Å; N590-T605 WeakPolarHBondContact CA-O 3.41Å; N590-T606 WeakPolarHBondContact OD1-CA 3.43Å; N590-T606 WeakPolarHBondContact OD1-CG2 3.41Å |
| 591 | I | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.8 | 159.3 | -60.9 | 161.2 | 0 | 0 | 0 | 107.1 | I482 L484 V528 K566 V567 L581 K604 T605 | I482-I591 HydrophobicContact CD1-CB 4.47Å; I482-I591 HydrophobicContact CD1-CG2 4.13Å; L484-I591 HydrophobicContact CD1-CD1 4.3Å; L484-I591 HydrophobicContact CD2-CD1 3.67Å; V528-I591 HydrophobicContact CG1-CD1 4.41Å; V528-I591 HydrophobicContact CG2-CD1 4.23Å; K566-I591 WeakPolarHBondContact O-CA 3.36Å; V567-I591 HydrophobicContact CG2-CG1 4.39Å; L581-I591 HydrophobicContact CD1-CD1 4.02Å; L581-I591 HydrophobicContact CD1-CG1 4.23Å; L581-I591 HydrophobicContact CD2-CD1 3.75Å; L581-I591 HydrophobicContact CG-CD1 4.37Å; I591-K604 WeakPolarHBondContact O-CA 3.42Å; I591-T605 PolarHBondContact N-O 2.9Å; I591-T605 PolarHBondContact O-N 2.84Å |
| 592 | Q | 95.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.6 | 177.4 | -58.6 | -173.3 | 11.3 | 0 | 0 | 109.9 | M565 K566 E568 N590 F594 V601 A603 K604 | M565-Q592 WeakPolarHBondContact CA-O 3.19Å; K566-Q592 PolarHBondContact N-O 2.7Å; K566-Q592 PolarHBondContact O-N 2.86Å; E568-Q592 PolarHBondContact OE2-NE2 2.86Å; N590-Q592 HydrophobicContact CB-CG 4.36Å; Q592-F594 HydrophobicContact CB-CD2 4.4Å; Q592-F594 HydrophobicContact CB-CE2 3.78Å; Q592-F594 HydrophobicContact CB-CZ 4.33Å; Q592-F594 VanDerWaalsContact OE1-CZ 3.24Å; Q592-V601 HydrophobicContact CB-CG1 4.16Å; Q592-V601 HydrophobicContact CG-CG1 4.48Å; Q592-A603 CarbonylContact C-O 3.59Å; Q592-A603 WeakPolarHBondContact CA-O 3.18Å; Q592-K604 HydrophobicContact CG-CB 4.46Å; Q592-K604 HydrophobicContact CG-CD 4.17Å; Q592-K604 HydrophobicContact CG-CG 4.13Å; Q592-K604 VanDerWaalsContact NE2-NZ 3.1Å |
| 593 | V | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.4 | 168.1 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | L480 I482 V530 V561 M565 V601 L602 A603 | L480-V593 HydrophobicContact CD1-CG1 4.02Å; I482-V593 HydrophobicContact CD1-CG2 3.94Å; I482-V593 HydrophobicContact CG1-CG2 4.2Å; V530-V593 HydrophobicContact CG1-CG2 4.36Å; V530-V593 HydrophobicContact CG2-CG2 4.33Å; V561-V593 HydrophobicContact CB-CG1 3.93Å; V561-V593 HydrophobicContact CG1-CG1 4.13Å; V561-V593 HydrophobicContact CG2-CG1 4.34Å; M565-V593 HydrophobicContact CG-CG2 4.12Å; V593-V601 CarbonylContact O-C 3.58Å; V593-V601 WeakPolarHBondContact O-CA 3.16Å; V593-L602 HydrophobicContact CG1-CB 4.42Å; V593-L602 PolarHBondContact O-N 2.75Å; V593-A603 HydrophobicContact CB-CB 4.22Å; V593-A603 HydrophobicContact CG2-CB 4.13Å; V593-A603 PolarHBondContact N-O 2.56Å |
| 594 | F | 94.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 153.9 | 175.3 | -71.9 | -92.8 | 0 | 0 | 0 | 111.6 | F564 K566 Q592 V601 | F564-F594 VanDerWaalsContact CB-O 3.32Å; F564-F594 WeakPolarHBondContact CB-O 3.39Å; F564-F594 PolarHBondContact O-N 2.79Å; K566-F594 HydrophobicContact CB-CD2 4.44Å; K566-F594 HydrophobicContact CB-CE2 4.13Å; K566-F594 HydrophobicContact CD-CD2 4Å; K566-F594 HydrophobicContact CD-CE2 3.94Å; K566-F594 HydrophobicContact CG-CD2 4.34Å; K566-F594 HydrophobicContact CG-CE2 4.39Å; Q592-F594 HydrophobicContact CB-CD2 4.4Å; Q592-F594 HydrophobicContact CB-CE2 3.78Å; Q592-F594 HydrophobicContact CB-CZ 4.33Å; Q592-F594 VanDerWaalsContact OE1-CZ 3.24Å; F594-V601 HydrophobicContact CD1-CG2 4.14Å; F594-V601 HydrophobicContact CE1-CG2 3.71Å; F594-V601 HydrophobicContact CZ-CG2 4.04Å |
| 595 | S | 93.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 50 Ų | 50 | 12% | 0.119 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 142.9 | 164.9 | 157.9 | 0 | 0 | 0 | 0 | 110.1 | L597 S598 V600 | S595-L597 VanDerWaalsContact C-N 3.27Å; S595-L597 PolarHBondContact OG-N 3.22Å; S595-L597 VanDerWaalsContact OG-N 3.07Å; S595-S598 CarbonylContact C-O 3.52Å; S595-S598 WeakPolarHBondContact CB-O 3.05Å; S595-S598 WeakPolarHBondContact CB-OG 3.3Å; S595-S598 PolarHBondContact OG-N 3.22Å; S595-S598 VanDerWaalsContact OG-N 3.09Å; S595-S598 PolarHBondContact OG-O 2.82Å; S595-S598 PolarHBondContact OG-OG 2.86Å; S595-V600 PolarHBondContact N-O 3.13Å |
| 596 | P | 93.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -81.3 | -7.1 | 172.9 | 32.9 | -33.3 | 0 | 0 | 0 | 113 | V396 F564 | V396-P596 WeakPolarHBondContact O-CD 3.38Å; V396-P596 WeakPolarHBondContact O-CG 3.42Å; F564-P596 HydrophobicContact CD1-CB 4.09Å; F564-P596 HydrophobicContact CD2-CB 4.27Å; F564-P596 HydrophobicContact CE1-CB 3.69Å; F564-P596 HydrophobicContact CE2-CB 3.89Å; F564-P596 HydrophobicContact CG-CB 4.38Å; F564-P596 HydrophobicContact CZ-CB 3.59Å |
| 597 | L | 91.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -114.3 | -7.9 | -175.3 | -63.3 | 171.3 | 0 | 0 | 0 | 113 | N446 G447 S595 | N446-L597 WeakPolarHBondContact O-CD1 3.25Å; G447-L597 VanDerWaalsContact C-CD1 3.41Å; G447-L597 VanDerWaalsContact O-CD1 3.29Å; G447-L597 WeakPolarHBondContact O-CD1 3.33Å; S595-L597 VanDerWaalsContact C-N 3.27Å; S595-L597 PolarHBondContact OG-N 3.22Å; S595-L597 VanDerWaalsContact OG-N 3.07Å |
| 598 | S | 89.6 | Confident | 94.6 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -166.5 | 156.9 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | S595 V600 | S595-S598 CarbonylContact C-O 3.52Å; S595-S598 WeakPolarHBondContact CB-O 3.05Å; S595-S598 WeakPolarHBondContact CB-OG 3.3Å; S595-S598 PolarHBondContact OG-N 3.22Å; S595-S598 VanDerWaalsContact OG-N 3.09Å; S595-S598 PolarHBondContact OG-O 2.82Å; S595-S598 PolarHBondContact OG-OG 2.86Å; S598-V600 PolarHBondContact O-N 3.08Å |
| 599 | D | 87.9 | Confident | 94.6 | Very high | 156 Ų | 156 | 43.4 Ų | 43.4 | 83% | 0.834 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -73.2 | 19.2 | 177.5 | -62.2 | -66 | 0 | 0 | 0 | 114.4 | ||
| 600 | V | 92.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 44 Ų | 44 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | trans | -76.5 | 134.1 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | S595 S598 L602 | S595-V600 PolarHBondContact N-O 3.13Å; S598-V600 PolarHBondContact O-N 3.08Å; V600-L602 PolarHBondContact O-N 2.93Å | ||
| 601 | V | 94.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 113.4 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | Q592 V593 F594 A603 K604 | Q592-V601 HydrophobicContact CB-CG1 4.16Å; Q592-V601 HydrophobicContact CG-CG1 4.48Å; V593-V601 CarbonylContact O-C 3.58Å; V593-V601 WeakPolarHBondContact O-CA 3.16Å; F594-V601 HydrophobicContact CD1-CG2 4.14Å; F594-V601 HydrophobicContact CE1-CG2 3.71Å; F594-V601 HydrophobicContact CZ-CG2 4.04Å; V601-A603 WeakPolarHBondContact CG1-O 3.37Å; V601-K604 HydrophobicContact CG1-CB 4.17Å |
| 602 | L | 94.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -22.7 | 178.7 | -61.1 | -178.9 | 0 | 0 | 0 | 113.1 | L397 L478 P479 L480 V593 V600 | L397-L602 HydrophobicContact CD2-CD1 4.5Å; L478-L602 HydrophobicContact CD1-CD2 4.09Å; L478-L602 HydrophobicContact CD2-CB 4.37Å; L478-L602 HydrophobicContact CD2-CD2 4.06Å; P479-L602 VanDerWaalsContact CA-O 3.31Å; P479-L602 WeakPolarHBondContact CA-O 3.28Å; P479-L602 WeakPolarHBondContact CB-O 3.14Å; L480-L602 HydrophobicContact CD1-CB 3.82Å; L480-L602 HydrophobicContact CD1-CD1 4.26Å; L480-L602 HydrophobicContact CG-CB 4.18Å; L480-L602 PolarHBondContact N-O 2.81Å; V593-L602 HydrophobicContact CG1-CB 4.42Å; V593-L602 PolarHBondContact O-N 2.75Å; V600-L602 PolarHBondContact O-N 2.93Å |
| 603 | A | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 151.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L480 I482 Q592 V593 V601 | L480-A603 HydrophobicContact CB-CB 3.81Å; L480-A603 WeakPolarHBondContact O-CB 3.36Å; I482-A603 HydrophobicContact CD1-CB 3.93Å; I482-A603 HydrophobicContact CG1-CB 3.87Å; Q592-A603 CarbonylContact C-O 3.59Å; Q592-A603 WeakPolarHBondContact CA-O 3.18Å; V593-A603 HydrophobicContact CB-CB 4.22Å; V593-A603 HydrophobicContact CG2-CB 4.13Å; V593-A603 PolarHBondContact N-O 2.56Å; V601-A603 WeakPolarHBondContact CG1-O 3.37Å |
| 604 | K | 95.3 | Very high | 94 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 47% | 0.47 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.3 | 179.4 | 178.3 | 164.7 | 179.3 | 150.1 | 0 | 110.9 | E568 N590 I591 Q592 V601 | E568-K604 IonicContact OE1-NZ 3.99Å; E568-K604 IonicContact OE2-NZ 2.72Å; E568-K604 PolarHBondContact OE2-NZ 2.89Å; N590-K604 HydrophobicContact CB-CD 4.43Å; N590-K604 HydrophobicContact CB-CG 4.12Å; N590-K604 VanDerWaalsContact ND2-CE 3.34Å; N590-K604 WeakPolarHBondContact ND2-CE 3.2Å; N590-K604 PolarHBondContact ND2-NZ 3Å; I591-K604 WeakPolarHBondContact O-CA 3.42Å; Q592-K604 HydrophobicContact CG-CB 4.46Å; Q592-K604 HydrophobicContact CG-CD 4.17Å; Q592-K604 HydrophobicContact CG-CG 4.13Å; Q592-K604 VanDerWaalsContact NE2-NZ 3.1Å; V601-K604 HydrophobicContact CG1-CB 4.17Å |
| 605 | T | 95.9 | Very high | 94 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.2 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | I482 L484 N590 I591 | I482-T605 PolarHBondContact O-OG1 3.16Å; L484-T605 HydrophobicContact CD1-CG2 3.83Å; L484-T605 HydrophobicContact CG-CG2 4.39Å; N590-T605 CarbonylContact C-O 3.57Å; N590-T605 WeakPolarHBondContact CA-O 3.41Å; I591-T605 PolarHBondContact N-O 2.9Å; I591-T605 PolarHBondContact O-N 2.84Å |
| 606 | T | 96.5 | Very high | 94 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.3 | 175 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | N590 | N590-T606 WeakPolarHBondContact OD1-CA 3.43Å; N590-T606 WeakPolarHBondContact OD1-CG2 3.41Å |
| 607 | V | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.3 | 164.3 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | L484 T487 L489 L581 T588 T589 | L484-V607 HydrophobicContact CD1-CB 4.45Å; T487-V607 WeakPolarHBondContact O-CG2 3.41Å; L489-V607 HydrophobicContact CD1-CG2 4.25Å; L489-V607 HydrophobicContact CG-CG2 4.27Å; L581-V607 HydrophobicContact CD2-CB 4.13Å; L581-V607 HydrophobicContact CD2-CG1 4.1Å; L581-V607 HydrophobicContact CD2-CG2 3.75Å; T588-V607 WeakPolarHBondContact CA-O 3.32Å; T589-V607 HydrophobicContact CG2-CG1 3.51Å; T589-V607 PolarHBondContact N-O 3.1Å; T589-V607 PolarHBondContact O-N 2.84Å |
| 608 | K | 96.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.9 | -179.6 | -178.9 | 174.4 | 150 | -129.3 | 0 | 109.4 | T487 E488 L489 V610 | T487-K608 PolarHBondContact O-N 2.86Å; E488-K608 CarbonylContact C-O 3.6Å; E488-K608 WeakPolarHBondContact CA-O 3.45Å; E488-K608 HydrophobicContact CG-CB 4.39Å; E488-K608 WeakPolarHBondContact OE1-CD 3.41Å; E488-K608 IonicContact OE1-NZ 3.26Å; E488-K608 PolarHBondContact OE1-NZ 2.65Å; E488-K608 IonicContact OE2-NZ 3.76Å; E488-K608 PolarHBondContact OE2-NZ 2.8Å; L489-K608 PolarHBondContact N-O 3.46Å; K608-V610 HydrophobicContact CD-CG1 4.25Å; K608-V610 HydrophobicContact CG-CG1 3.9Å |
| 609 | V | 96.4 | Very high | 94 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.1 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 108 | L489 L523 V572 A573 D585 F586 G587 | L489-V609 HydrophobicContact CB-CG2 4.36Å; L489-V609 CarbonylContact O-C 3.59Å; L489-V609 VanDerWaalsContact O-CA 3.31Å; L489-V609 WeakPolarHBondContact O-CA 3.47Å; L523-V609 HydrophobicContact CD1-CG1 3.94Å; L523-V609 HydrophobicContact CD2-CG1 3.81Å; L523-V609 HydrophobicContact CG-CG1 4.49Å; V572-V609 HydrophobicContact CG1-CB 4.1Å; V572-V609 HydrophobicContact CG1-CG2 3.67Å; A573-V609 HydrophobicContact CB-CG2 4.48Å; D585-V609 WeakPolarHBondContact O-CB 3.43Å; D585-V609 WeakPolarHBondContact O-CG1 3.4Å; F586-V609 WeakPolarHBondContact CA-O 3.43Å; F586-V609 HydrophobicContact CD1-CG1 4.45Å; G587-V609 PolarHBondContact N-O 2.87Å; G587-V609 PolarHBondContact O-N 2.81Å |
| 610 | V | 95.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.2 | -166.8 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | L489 S490 F586 K608 D612 | L489-V610 PolarHBondContact O-N 3.02Å; S490-V610 WeakPolarHBondContact OG-CG2 3.01Å; F586-V610 VanDerWaalsContact CD1-C 3.44Å; F586-V610 WeakPolarHBondContact CD1-O 3.35Å; F586-V610 VanDerWaalsContact CE1-O 3.3Å; F586-V610 WeakPolarHBondContact CE1-O 3.41Å; K608-V610 HydrophobicContact CD-CG1 4.25Å; K608-V610 HydrophobicContact CG-CG1 3.9Å; V610-D612 HydrophobicContact CB-CB 4.36Å; V610-D612 HydrophobicContact CG2-CB 3.89Å |
| 611 | D | 93 | Very high | 94 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -2.5 | 170.7 | -170.3 | 52 | 0 | 0 | 0 | 112.4 | F586 K613 | F586-D611 HydrophobicContact CD1-CB 4.16Å; F586-D611 HydrophobicContact CD2-CB 4.29Å; F586-D611 VanDerWaalsContact CE1-CA 3.44Å; F586-D611 HydrophobicContact CE1-CB 3.78Å; F586-D611 HydrophobicContact CE2-CB 3.91Å; F586-D611 WeakPolarHBondContact CE2-OD1 3.18Å; F586-D611 HydrophobicContact CG-CB 4.4Å; F586-D611 HydrophobicContact CZ-CB 3.63Å; F586-D611 WeakPolarHBondContact CZ-OD1 3.28Å; D611-K613 WeakPolarHBondContact O-CG 3.29Å; D611-K613 PolarHBondContact O-NZ 2.8Å; D611-K613 IonicContact OD1-NZ 2.98Å; D611-K613 PolarHBondContact OD1-NZ 2.91Å; D611-K613 IonicContact OD2-NZ 2.72Å; D611-K613 PolarHBondContact OD2-NZ 2.8Å |
| 612 | D | 92.9 | Very high | 93.6 | Very high | 117 Ų | 117 | 43.9 Ų | 43.9 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 141.5 | 168.4 | -72.7 | -57.3 | 0 | 0 | 0 | 110.8 | S490 Q491 V610 | S490-D612 WeakPolarHBondContact CB-O 3.42Å; Q491-D612 PolarHBondContact N-O 2.86Å; V610-D612 HydrophobicContact CB-CB 4.36Å; V610-D612 HydrophobicContact CG2-CB 3.89Å |
| 613 | K | 93.9 | Very high | 93.3 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 104.4 | -165.2 | -79.3 | 165.3 | -170.6 | 73.1 | 0 | 110.4 | Q491 K493 L521 D611 | Q491-K613 HydrophobicContact CB-CG 3.88Å; Q491-K613 CarbonylContact O-C 3.6Å; Q491-K613 VanDerWaalsContact O-CA 3.28Å; Q491-K613 WeakPolarHBondContact O-CA 3.36Å; Q491-K613 VanDerWaalsContact OE1-CE 3.25Å; K493-K613 HydrophobicContact CD-CB 4.42Å; K493-K613 WeakPolarHBondContact CE-O 3.44Å; K493-K613 HydrophobicContact CG-CB 3.93Å; K493-K613 PolarHBondContact NZ-O 2.91Å; L521-K613 HydrophobicContact CD1-CD 4.48Å; D611-K613 WeakPolarHBondContact O-CG 3.29Å; D611-K613 PolarHBondContact O-NZ 2.8Å; D611-K613 IonicContact OD1-NZ 2.98Å; D611-K613 PolarHBondContact OD1-NZ 2.91Å; D611-K613 IonicContact OD2-NZ 2.72Å; D611-K613 PolarHBondContact OD2-NZ 2.8Å |
| 614 | V | 94.9 | Very high | 93 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 146 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 110.7 | Q491 I492 K493 Q524 F666 S667 D668 | Q491-V614 PolarHBondContact O-N 3.08Å; I492-V614 HydrophobicContact CG1-CG2 4.42Å; K493-V614 WeakPolarHBondContact CB-O 3.39Å; K493-V614 WeakPolarHBondContact CG-O 3.35Å; K493-V614 PolarHBondContact N-O 2.91Å; Q524-V614 HydrophobicContact CG-CG2 4.47Å; V614-F666 HydrophobicContact CB-CB 4.46Å; V614-F666 HydrophobicContact CG2-CB 4.44Å; V614-F666 HydrophobicContact CG2-CD1 4.18Å; V614-F666 HydrophobicContact CG2-CG 4.47Å; V614-S667 WeakPolarHBondContact CA-OG 3.33Å; V614-D668 HydrophobicContact CG1-CB 4.22Å; V614-D668 WeakPolarHBondContact CG1-OD2 3.36Å |
| 615 | S | 93.4 | Very high | 92.6 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | trans | -104.3 | 144.6 | 173.1 | 33.5 | 0 | 0 | 0 | 0 | 110.2 | T617 F666 S667 | S615-T617 PolarHBondContact O-N 2.81Å; S615-F666 CarbonylContact O-C 3.55Å; S615-F666 WeakPolarHBondContact O-CA 3.38Å; S615-S667 PolarHBondContact N-OG 3.33Å; S615-S667 PolarHBondContact O-N 3.06Å | ||
| 616 | I | 93.9 | Very high | 92.2 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 14% | 0.138 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 122.5 | 163.8 | -58.5 | -176.5 | 0 | 0 | 0 | 107.5 | I492 W495 E618 V664 Q665 F666 M718 V733 A734 | I492-I616 HydrophobicContact CG2-CD1 4.21Å; I492-I616 HydrophobicContact CG2-CG1 3.86Å; W495-I616 HydrophobicContact CE3-CD1 4.45Å; I616-E618 WeakPolarHBondContact CG2-O 3.47Å; I616-V664 HydrophobicContact CB-CG1 4.18Å; I616-V664 HydrophobicContact CD1-CG1 3.62Å; I616-V664 HydrophobicContact CG1-CG1 3.55Å; I616-V664 HydrophobicContact CG2-CG1 3.78Å; I616-Q665 CarbonylContact C-O 3.29Å; I616-Q665 WeakPolarHBondContact CA-O 3.45Å; I616-F666 HydrophobicContact CG1-CD1 4.22Å; I616-F666 HydrophobicContact CG1-CE1 4.08Å; I616-M718 HydrophobicContact CD1-SD 4.26Å; I616-V733 HydrophobicContact CD1-CG1 3.91Å; I616-A734 HydrophobicContact CB-CB 4.38Å; I616-A734 HydrophobicContact CD1-CB 4.36Å; I616-A734 HydrophobicContact CG2-CB 3.7Å |
| 617 | T | 92.4 | Very high | 91.9 | Very high | 84 Ų | 84 | 33.7 Ų | 33.7 | 52% | 0.515 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -36.2 | 176.8 | 45.4 | 0 | 0 | 0 | 0 | 111 | S615 Q665 F666 | S615-T617 PolarHBondContact O-N 2.81Å; T617-Q665 PolarHBondContact N-O 2.03Å; T617-Q665 PolarHBondContact OG1-O 3.04Å; T617-F666 PolarHBondContact OG1-O 3.01Å |
| 618 | E | 91.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 138.3 | 177.4 | -163.4 | -176.1 | 130.2 | 0 | 0 | 110.7 | I616 Q665 | I616-E618 WeakPolarHBondContact CG2-O 3.47Å; E618-Q665 HydrophobicContact CB-CB 4.11Å; E618-Q665 PolarHBondContact O-N 2.81Å |
| 619 | L | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 98.9 | 158.2 | 175.6 | 70 | 0 | 0 | 0 | 106.3 | V621 W663 V664 V716 M718 A734 G736 | L619-V621 HydrophobicContact CG-CG2 4.47Å; L619-W663 WeakPolarHBondContact CA-O 3.48Å; L619-V664 HydrophobicContact CD1-CG2 4.23Å; L619-V716 HydrophobicContact CD2-CG1 4.31Å; L619-M718 HydrophobicContact CD1-SD 4.43Å; L619-M718 HydrophobicContact CD2-CB 3.76Å; L619-A734 HydrophobicContact CB-CB 3.78Å; L619-A734 HydrophobicContact CD2-CB 4.42Å; L619-G736 WeakPolarHBondContact O-CA 3.37Å |
| 620 | G | 89.4 | Confident | 91.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 146.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S662 W663 | G620-S662 WeakPolarHBondContact O-CA 3.48Å; G620-W663 VanDerWaalsContact CA-CZ2 3.47Å; G620-W663 PolarHBondContact N-O 2.83Å; G620-W663 PolarHBondContact O-N 3.17Å; G620-W663 VanDerWaalsContact O-N 3.08Å |
| 621 | V | 89.4 | Confident | 91.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.8 | -169.2 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | L619 V660 V716 | L619-V621 HydrophobicContact CG-CG2 4.47Å; V621-V660 HydrophobicContact CG1-CG1 3.83Å; V621-V716 HydrophobicContact CB-CG2 4.36Å; V621-V716 HydrophobicContact CG1-CG2 3.63Å; V621-V716 HydrophobicContact CG2-CB 3.86Å; V621-V716 HydrophobicContact CG2-CG2 3.73Å |
| 622 | Q | 87.1 | Confident | 91.1 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.2 | 174.3 | -176.6 | -173.7 | 34.5 | 0 | 0 | 109.6 | M31 T647 E649 S661 W663 | M31-Q622 PolarHBondContact O-NE2 2.85Å; M31-Q622 PolarHBondContact O-OE1 3.44Å; M31-Q622 VanDerWaalsContact O-OE1 3.1Å; Q622-T647 PolarHBondContact NE2-OG1 3.4Å; Q622-E649 PolarHBondContact NE2-OE1 2.82Å; Q622-S661 PolarHBondContact N-O 2.82Å; Q622-S661 VanDerWaalsContact N-O 3.07Å; Q622-S661 PolarHBondContact O-N 2.95Å; Q622-W663 HydrophobicContact CB-CH2 3.97Å; Q622-W663 HydrophobicContact CB-CZ3 3.72Å |
| 623 | V | 87.6 | Confident | 90.8 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.7 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | A658 L659 V703 V714 L740 | V623-A658 HydrophobicContact CG1-CB 3.45Å; V623-A658 VanDerWaalsContact CG1-CB 3.45Å; V623-L659 WeakPolarHBondContact CA-O 3.38Å; V623-V703 HydrophobicContact CG1-CB 4.3Å; V623-V703 HydrophobicContact CG1-CG1 4.19Å; V623-V714 HydrophobicContact CG2-CG2 4.21Å; V623-L740 HydrophobicContact CB-CD1 4.15Å; V623-L740 HydrophobicContact CG1-CD1 3.92Å; V623-L740 HydrophobicContact CG1-CD2 4.11Å |
| 624 | V | 88.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 103.1 | -173.5 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | L4 G626 L627 T647 A658 L659 | L4-V624 HydrophobicContact CD1-CG2 4.29Å; V624-G626 WeakPolarHBondContact CG1-O 3.38Å; V624-L627 HydrophobicContact CG1-CD2 4.13Å; V624-T647 HydrophobicContact CG1-CG2 4.06Å; V624-T647 HydrophobicContact CG2-CG2 3.88Å; V624-A658 WeakPolarHBondContact O-CA 3.49Å; V624-A658 WeakPolarHBondContact O-CB 3.02Å; V624-L659 HydrophobicContact CB-CB 4.46Å; V624-L659 PolarHBondContact N-O 3.17Å; V624-L659 PolarHBondContact O-N 3.39Å |
| 625 | S | 86.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -85.5 | -10.7 | 178.1 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | Q648 V650 L651 Q656 | S625-Q648 PolarHBondContact N-O 3.2Å; S625-Q648 PolarHBondContact OG-O 2.91Å; S625-V650 PolarHBondContact OG-O 2.86Å; S625-L651 VanDerWaalsContact CB-CD2 3.43Å; S625-Q656 PolarHBondContact O-NE2 2.9Å |
| 626 | G | 87.8 | Confident | 88.6 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V624 Q648 | V624-G626 WeakPolarHBondContact CG1-O 3.38Å; G626-Q648 PolarHBondContact O-N 3.42Å |
| 627 | L | 90.3 | Very high | 87.8 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.6 | 171.5 | -64.2 | 178 | 0 | 0 | 0 | 109.7 | L4 V56 T58 V624 T645 | L4-L627 HydrophobicContact CD2-CD2 3.83Å; V56-L627 HydrophobicContact CG1-CB 4.27Å; V56-L627 HydrophobicContact CG1-CD1 4.19Å; V56-L627 HydrophobicContact CG1-CG 3.81Å; T58-L627 WeakPolarHBondContact CB-O 3.27Å; T58-L627 HydrophobicContact CG2-CB 3.59Å; T58-L627 PolarHBondContact OG1-O 3.28Å; V624-L627 HydrophobicContact CG1-CD2 4.13Å; L627-T645 HydrophobicContact CB-CG2 4.03Å; L627-T645 HydrophobicContact CD1-CG2 4.42Å; L627-T645 HydrophobicContact CD2-CG2 4.08Å; L627-T645 HydrophobicContact CG-CG2 4.41Å |
| 628 | S | 91.1 | Very high | 86.7 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.2 | 170.4 | 35.6 | 0 | 0 | 0 | 0 | 110.6 | T645 T646 | S628-T645 WeakPolarHBondContact O-CA 3.5Å; S628-T646 PolarHBondContact N-O 3.21Å; S628-T646 PolarHBondContact O-N 3.05Å; S628-T646 PolarHBondContact O-OG1 3.44Å; S628-T646 PolarHBondContact OG-OG1 2.88Å |
| 629 | M | 93.2 | Very high | 86.2 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.4 | -178.8 | 176.8 | 162.5 | 49.1 | 0 | 0 | 112.4 | Y8 V49 A51 T58 R60 L631 A643 T644 | Y8-M629 HydrophobicContact CE1-SD 4.13Å; V49-M629 HydrophobicContact CB-CE 3.89Å; V49-M629 HydrophobicContact CB-SD 4.16Å; V49-M629 HydrophobicContact CG1-CE 3.82Å; V49-M629 HydrophobicContact CG1-SD 3.64Å; V49-M629 WeakPolarHBondContact O-CE 3.14Å; A51-M629 HydrophobicContact CB-CE 3.78Å; A51-M629 HydrophobicContact CB-SD 3.8Å; T58-M629 HydrophobicContact CG2-CB 3.82Å; T58-M629 HydrophobicContact CG2-CE 4.47Å; T58-M629 WeakPolarHBondContact O-CE 3.49Å; R60-M629 HydrophobicContact CB-CE 4.01Å; R60-M629 WeakPolarHBondContact CD-O 3Å; R60-M629 PolarHBondContact NH1-O 2.98Å; M629-L631 HydrophobicContact CG-CD2 4.25Å; M629-L631 HydrophobicContact SD-CD2 4.21Å; M629-A643 HydrophobicContact SD-CB 4.07Å; M629-T644 CarbonylContact C-O 3.5Å; M629-T644 WeakPolarHBondContact CA-O 3.29Å |
| 630 | T | 93 | Very high | 86 | Confident | 64 Ų | 64 | 38.4 Ų | 38.4 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 146 | 167.8 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | T644 | T630-T644 PolarHBondContact N-O 2.83Å; T630-T644 PolarHBondContact O-N 3.39Å; T630-T644 PolarHBondContact OG1-O 2.9Å |
| 631 | L | 92.7 | Very high | 86.1 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.5 | 176.9 | -59.7 | 177.7 | 0 | 0 | 0 | 108.3 | F38 V49 R60 V62 L66 M629 L642 A643 | F38-L631 HydrophobicContact CE1-CD2 4.43Å; V49-L631 HydrophobicContact CB-CD2 4.29Å; V49-L631 HydrophobicContact CG2-CD1 4.09Å; V49-L631 HydrophobicContact CG2-CD2 3.97Å; R60-L631 HydrophobicContact CB-CD1 4.26Å; R60-L631 HydrophobicContact CG-CD1 4.05Å; R60-L631 HydrophobicContact CG-CG 4.41Å; V62-L631 HydrophobicContact CG2-CD1 4.16Å; L66-L631 HydrophobicContact CD1-CB 3.74Å; M629-L631 HydrophobicContact CG-CD2 4.25Å; M629-L631 HydrophobicContact SD-CD2 4.21Å; L631-L642 WeakPolarHBondContact CA-O 3.41Å; L631-A643 HydrophobicContact CD2-CB 3.62Å |
| 632 | Q | 90.8 | Very high | 86.1 | Confident | 116 Ų | 116 | 39.7 Ų | 39.7 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.7 | -179.7 | -65.7 | -176.3 | -23.1 | 0 | 0 | 110.3 | I641 L642 | Q632-I641 CarbonylContact O-C 3.56Å; Q632-I641 WeakPolarHBondContact O-CA 3.18Å; Q632-L642 PolarHBondContact N-O 3.08Å; Q632-L642 PolarHBondContact O-N 2.97Å |
| 633 | R | 87 | Confident | 86.4 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 37% | 0.366 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 143.9 | 166.8 | -92 | 178.5 | 179.1 | 140.3 | 5.3 | 110 | D65 L66 Q68 | D65-R633 PolarHBondContact O-NH1 2.92Å; D65-R633 PolarHBondContact O-NH2 2.8Å; L66-R633 HydrophobicContact CD2-CG 4.16Å; L66-R633 VanDerWaalsContact O-CZ 3.25Å; L66-R633 PolarHBondContact O-NE 3.06Å; L66-R633 PolarHBondContact O-NH2 2.86Å; Q68-R633 PolarHBondContact O-NH2 3.07Å |
| 634 | S | 84.3 | Confident | 86.6 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | trans | -69.1 | 143.3 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | W553 G636 A640 | W553-S634 WeakPolarHBondContact CZ2-OG 3.41Å; S634-G636 VanDerWaalsContact C-N 3.32Å; S634-G636 PolarHBondContact OG-N 3.38Å; S634-A640 WeakPolarHBondContact CB-O 3.23Å; S634-A640 PolarHBondContact N-O 2.78Å | ||
| 635 | S | 80 | Confident | 86.8 | Confident | 131 Ų | 131 | 40.6 Ų | 40.6 | 92% | 0.916 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -72.9 | -25.8 | 169.9 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 636 | G | 71.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88 | -12.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W553 S634 | W553-G636 PolarHBondContact NE1-O 2.88Å; S634-G636 VanDerWaalsContact C-N 3.32Å; S634-G636 PolarHBondContact OG-N 3.38Å |
| 637 | S | 77.1 | Confident | 86.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | trans | -161.1 | 126.4 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | L549 R639 A640 | L549-S637 PolarHBondContact O-OG 2.99Å; S637-R639 PolarHBondContact O-N 2.87Å; S637-R639 VanDerWaalsContact O-N 3.1Å; S637-A640 PolarHBondContact O-N 3.06Å; S637-A640 VanDerWaalsContact O-N 3.14Å | ||
| 638 | S | 70.3 | Confident | 86.5 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 67% | 0.671 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.9 | -178 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 639 | R | 80.5 | Confident | 85.8 | Confident | 103 Ų | 103 | 46 Ų | 46 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -18.2 | 178.4 | -63 | 179.1 | 176.2 | -159.1 | -3.9 | 113.8 | V39 E390 L549 S637 | V39-R639 HydrophobicContact CG2-CB 4.44Å; E390-R639 IonicContact OE1-CZ 3.97Å; E390-R639 IonicContact OE1-NH1 2.85Å; E390-R639 PolarHBondContact OE1-NH1 2.98Å; E390-R639 IonicContact OE1-NH2 3.32Å; E390-R639 PolarHBondContact OE1-NH2 2.98Å; E390-R639 IonicContact OE2-CZ 2.69Å; E390-R639 IonicContact OE2-NH1 3.01Å; E390-R639 PolarHBondContact OE2-NH1 3.03Å; E390-R639 IonicContact OE2-NH2 3.59Å; L549-R639 HydrophobicContact CD2-CB 3.82Å; S637-R639 PolarHBondContact O-N 2.87Å; S637-R639 VanDerWaalsContact O-N 3.1Å |
| 640 | A | 87.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -87.7 | 131.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L18 S634 S637 | L18-A640 HydrophobicContact CD1-CB 3.83Å; S634-A640 WeakPolarHBondContact CB-O 3.23Å; S634-A640 PolarHBondContact N-O 2.78Å; S637-A640 PolarHBondContact O-N 3.06Å; S637-A640 VanDerWaalsContact O-N 3.14Å | ||
| 641 | I | 90.6 | Very high | 85.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132 | 176.5 | -56 | 178.3 | 0 | 0 | 0 | 108.3 | P37 F38 L40 V62 L66 V67 Q632 | P37-I641 CarbonylContact C-O 3.59Å; P37-I641 WeakPolarHBondContact CA-O 3.47Å; F38-I641 HydrophobicContact CD1-CB 4.16Å; F38-I641 HydrophobicContact CD1-CG2 4.4Å; F38-I641 VanDerWaalsContact CD1-O 3.25Å; F38-I641 WeakPolarHBondContact CD1-O 3.14Å; F38-I641 HydrophobicContact CE1-CB 3.65Å; F38-I641 HydrophobicContact CE1-CG2 3.5Å; F38-I641 VanDerWaalsContact CE1-CG2 3.5Å; F38-I641 HydrophobicContact CE2-CB 4.29Å; F38-I641 HydrophobicContact CE2-CD1 4.35Å; F38-I641 HydrophobicContact CZ-CB 3.73Å; F38-I641 HydrophobicContact CZ-CD1 4.2Å; F38-I641 HydrophobicContact CZ-CG2 3.62Å; F38-I641 PolarHBondContact N-O 2.92Å; F38-I641 PolarHBondContact O-N 3.46Å; L40-I641 HydrophobicContact CD1-CD1 3.95Å; V62-I641 HydrophobicContact CG1-CD1 3.94Å; L66-I641 HydrophobicContact CB-CD1 4.19Å; L66-I641 HydrophobicContact CD1-CG2 4.08Å; V67-I641 HydrophobicContact CG2-CD1 4.28Å; Q632-I641 CarbonylContact O-C 3.56Å; Q632-I641 WeakPolarHBondContact O-CA 3.18Å |
| 642 | L | 91.1 | Very high | 84.7 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.199 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.9 | 175.4 | -52.8 | -175.6 | 0 | 0 | 0 | 108.8 | T35 P37 L631 Q632 | T35-L642 HydrophobicContact CG2-CB 4.22Å; P37-L642 HydrophobicContact CB-CD2 3.71Å; L631-L642 WeakPolarHBondContact CA-O 3.41Å; Q632-L642 PolarHBondContact N-O 3.08Å; Q632-L642 PolarHBondContact O-N 2.97Å |
| 643 | A | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 95.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y8 Q36 F38 V49 M629 L631 | Y8-A643 HydrophobicContact CD1-CB 4.17Å; Y8-A643 HydrophobicContact CE1-CB 3.66Å; Y8-A643 WeakPolarHBondContact CE1-O 3.47Å; Y8-A643 PolarHBondContact OH-O 3.25Å; Q36-A643 PolarHBondContact N-O 3.32Å; Q36-A643 PolarHBondContact O-N 2.64Å; F38-A643 HydrophobicContact CD1-CB 4.29Å; F38-A643 HydrophobicContact CE1-CB 3.96Å; V49-A643 HydrophobicContact CG1-CB 4.29Å; M629-A643 HydrophobicContact SD-CB 4.07Å; L631-A643 HydrophobicContact CD2-CB 3.62Å |
| 644 | T | 91.4 | Very high | 84.5 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.8 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | H34 T35 M629 T630 T646 | H34-T644 CarbonylContact O-C 3.46Å; H34-T644 WeakPolarHBondContact O-CA 3.4Å; T35-T644 WeakPolarHBondContact CG2-OG1 3.31Å; T35-T644 PolarHBondContact OG1-OG1 2.81Å; M629-T644 CarbonylContact C-O 3.5Å; M629-T644 WeakPolarHBondContact CA-O 3.29Å; T630-T644 PolarHBondContact N-O 2.83Å; T630-T644 PolarHBondContact O-N 3.39Å; T630-T644 PolarHBondContact OG1-O 2.9Å; T644-T646 HydrophobicContact CG2-CG2 4.5Å |
| 645 | T | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.6 | 174 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | V6 Y8 S33 H34 A51 T58 L627 S628 | V6-T645 HydrophobicContact CG2-CG2 4.31Å; Y8-T645 WeakPolarHBondContact OH-CB 3.32Å; Y8-T645 PolarHBondContact OH-N 3.12Å; Y8-T645 PolarHBondContact OH-OG1 3.03Å; S33-T645 CarbonylContact C-O 3.47Å; S33-T645 WeakPolarHBondContact CA-O 3.33Å; H34-T645 PolarHBondContact N-O 2.88Å; H34-T645 PolarHBondContact O-N 2.87Å; A51-T645 HydrophobicContact CB-CG2 4.02Å; A51-T645 VanDerWaalsContact CB-OG1 3.32Å; A51-T645 WeakPolarHBondContact CB-OG1 3.47Å; T58-T645 HydrophobicContact CG2-CG2 4.28Å; L627-T645 HydrophobicContact CB-CG2 4.03Å; L627-T645 HydrophobicContact CD1-CG2 4.42Å; L627-T645 HydrophobicContact CD2-CG2 4.08Å; L627-T645 HydrophobicContact CG-CG2 4.41Å; S628-T645 WeakPolarHBondContact O-CA 3.5Å |
| 646 | T | 89.8 | Confident | 85.2 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.9 | 175.2 | 57 | 0 | 0 | 0 | 0 | 112.2 | Q32 S628 T644 | Q32-T646 CarbonylContact O-C 3.57Å; Q32-T646 WeakPolarHBondContact O-CA 3.4Å; S628-T646 PolarHBondContact N-O 3.21Å; S628-T646 PolarHBondContact O-N 3.05Å; S628-T646 PolarHBondContact O-OG1 3.44Å; S628-T646 PolarHBondContact OG-OG1 2.88Å; T644-T646 HydrophobicContact CG2-CG2 4.5Å |
| 647 | T | 87.9 | Confident | 86 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.6 | 165.6 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | L4 Q32 Q622 V624 | L4-T647 HydrophobicContact CD1-CG2 3.31Å; L4-T647 HydrophobicContact CD2-CG2 3.52Å; L4-T647 HydrophobicContact CG-CG2 3.96Å; Q32-T647 WeakPolarHBondContact CA-OG1 3.49Å; Q32-T647 PolarHBondContact O-N 3.08Å; Q32-T647 PolarHBondContact O-OG1 3.1Å; Q622-T647 PolarHBondContact NE2-OG1 3.4Å; V624-T647 HydrophobicContact CG1-CG2 4.06Å; V624-T647 HydrophobicContact CG2-CG2 3.88Å |
| 648 | Q | 81.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.1 | 156.4 | -60.4 | -176.3 | 8.8 | 0 | 0 | 107.8 | S625 G626 | S625-Q648 PolarHBondContact N-O 3.2Å; S625-Q648 PolarHBondContact OG-O 2.91Å; G626-Q648 PolarHBondContact O-N 3.42Å |
| 649 | E | 75.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | trans | -108.8 | 11.1 | 179 | -60.7 | -175.1 | 167.2 | 0 | 0 | 111.9 | Q32 Q622 | Q32-E649 WeakPolarHBondContact CG-OE1 3.48Å; Q32-E649 PolarHBondContact NE2-OE1 3.3Å; Q32-E649 VanDerWaalsContact NE2-OE1 3.13Å; Q32-E649 PolarHBondContact NE2-OE2 3.42Å; Q622-E649 PolarHBondContact NE2-OE1 2.82Å | ||
| 650 | V | 85.5 | Confident | 87.9 | Confident | 47 Ų | 47 | 42 Ų | 42 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.2 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 109 | S625 Q652 K741 | S625-V650 PolarHBondContact OG-O 2.86Å; V650-Q652 HydrophobicContact CB-CG 4.48Å; V650-Q652 HydrophobicContact CG1-CG 4.05Å; V650-K741 VanDerWaalsContact CA-O 3.29Å; V650-K741 WeakPolarHBondContact CA-O 3.17Å; V650-K741 HydrophobicContact CG2-CB 4.42Å; V650-K741 HydrophobicContact CG2-CD 4.16Å |
| 651 | L | 86.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.2 | 167.7 | -70.8 | 166.9 | 0 | 0 | 0 | 108.5 | S625 Q656 A658 A705 L740 K741 V742 K743 | S625-L651 VanDerWaalsContact CB-CD2 3.43Å; L651-Q656 HydrophobicContact CD2-CB 3.73Å; L651-Q656 HydrophobicContact CD2-CG 3.48Å; L651-Q656 VanDerWaalsContact CD2-CG 3.48Å; L651-A658 HydrophobicContact CD2-CB 4.2Å; L651-A705 HydrophobicContact CB-CB 3.92Å; L651-A705 HydrophobicContact CD1-CB 3.82Å; L651-A705 HydrophobicContact CG-CB 4.35Å; L651-L740 HydrophobicContact CD1-CD1 4.06Å; L651-L740 HydrophobicContact CD1-CD2 3.85Å; L651-L740 HydrophobicContact CD1-CG 4.38Å; L651-L740 HydrophobicContact CG-CD1 4.24Å; L651-K741 PolarHBondContact N-O 2.85Å; L651-V742 HydrophobicContact CB-CB 4.46Å; L651-V742 HydrophobicContact CB-CG1 4.03Å; L651-V742 HydrophobicContact CB-CG2 4.22Å; L651-V742 HydrophobicContact CD1-CG2 4.22Å; L651-K743 CarbonylContact O-C 3.49Å; L651-K743 PolarHBondContact O-N 3.36Å |
| 652 | Q | 86.2 | Confident | 87.8 | Confident | 77 Ų | 77 | 42.1 Ų | 42.1 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | trans | -114.3 | -10.4 | -167 | -62.4 | -170.5 | 25.9 | 0 | 0 | 114.2 | V650 K743 F744 Q745 | V650-Q652 HydrophobicContact CB-CG 4.48Å; V650-Q652 HydrophobicContact CG1-CG 4.05Å; Q652-K743 WeakPolarHBondContact CA-O 3.38Å; Q652-F744 WeakPolarHBondContact O-CA 3.28Å; Q652-Q745 HydrophobicContact CB-CG 4.47Å; Q652-Q745 PolarHBondContact O-N 3.3Å; Q652-Q745 VanDerWaalsContact O-N 3.15Å | ||
| 653 | S | 86.4 | Confident | 87.7 | Confident | 57 Ų | 57 | 41.3 Ų | 41.3 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -133.4 | 148 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | Q656 F744 | S653-Q656 WeakPolarHBondContact O-CB 3.45Å; S653-Q656 PolarHBondContact O-N 3.12Å; S653-Q656 PolarHBondContact OG-OE1 3.2Å; S653-F744 VanDerWaalsContact C-CD1 3.48Å; S653-F744 VanDerWaalsContact C-CE1 3.45Å; S653-F744 WeakPolarHBondContact O-CE1 3.46Å |
| 654 | P | 86.9 | Confident | 87.6 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 139 | 177.3 | 27.7 | -34.9 | 0 | 0 | 0 | 110 | Q656 F744 | P654-Q656 PolarHBondContact O-N 3.26Å; P654-F744 HydrophobicContact CB-CE1 4.14Å; P654-F744 HydrophobicContact CB-CE2 4.37Å; P654-F744 HydrophobicContact CB-CZ 4.02Å |
| 655 | K | 88.9 | Confident | 87.6 | Confident | 151 Ų | 151 | 42.2 Ų | 42.2 | 66% | 0.657 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.2 | -173.6 | -52.1 | -174.4 | 178.3 | -173.8 | 0 | 115.1 | V704 A705 | K655-V704 HydrophobicContact CB-CG1 4.34Å; K655-A705 VanDerWaalsContact CA-O 3.29Å; K655-A705 WeakPolarHBondContact CA-O 3.33Å; K655-A705 PolarHBondContact N-O 2.93Å |
| 656 | Q | 88.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | trans | -66.1 | 132.8 | 166.2 | -173.4 | -178.3 | -6.4 | 0 | 0 | 109.8 | S625 L651 S653 P654 V704 A705 | S625-Q656 PolarHBondContact O-NE2 2.9Å; L651-Q656 HydrophobicContact CD2-CB 3.73Å; L651-Q656 HydrophobicContact CD2-CG 3.48Å; L651-Q656 VanDerWaalsContact CD2-CG 3.48Å; S653-Q656 WeakPolarHBondContact O-CB 3.45Å; S653-Q656 PolarHBondContact O-N 3.12Å; S653-Q656 PolarHBondContact OG-OE1 3.2Å; P654-Q656 PolarHBondContact O-N 3.26Å; Q656-V704 WeakPolarHBondContact O-CA 3.3Å; Q656-A705 PolarHBondContact O-N 2.85Å | ||
| 657 | E | 89.8 | Confident | 87.8 | Confident | 117 Ų | 117 | 42.7 Ų | 42.7 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 152.6 | 178.3 | -54.5 | -173.4 | 151.5 | 0 | 0 | 111.3 | V703 V704 | E657-V703 CarbonylContact C-O 3.56Å; E657-V703 WeakPolarHBondContact CA-O 3.42Å; E657-V704 HydrophobicContact CG-CG2 4.33Å |
| 658 | A | 89.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V623 V624 L651 V703 | V623-A658 HydrophobicContact CG1-CB 3.45Å; V623-A658 VanDerWaalsContact CG1-CB 3.45Å; V624-A658 WeakPolarHBondContact O-CA 3.49Å; V624-A658 WeakPolarHBondContact O-CB 3.02Å; L651-A658 HydrophobicContact CD2-CB 4.2Å; A658-V703 HydrophobicContact CB-CB 4.32Å; A658-V703 PolarHBondContact N-O 3.07Å; A658-V703 PolarHBondContact O-N 3.22Å |
| 659 | L | 88.8 | Confident | 88.2 | Confident | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 158 | 175.1 | -60 | 175.7 | 0 | 0 | 0 | 111.2 | Y53 P55 V56 V623 V624 L702 | Y53-L659 HydrophobicContact CD1-CD1 4.02Å; Y53-L659 HydrophobicContact CE1-CB 4.5Å; Y53-L659 HydrophobicContact CE1-CD1 4.32Å; Y53-L659 WeakPolarHBondContact O-CD1 3.36Å; P55-L659 HydrophobicContact CG-CD1 4.17Å; P55-L659 HydrophobicContact CG-CD2 3.81Å; V56-L659 HydrophobicContact CB-CD1 4.12Å; V56-L659 HydrophobicContact CG2-CD1 3.67Å; V56-L659 HydrophobicContact CG2-CG 4.15Å; V623-L659 WeakPolarHBondContact CA-O 3.38Å; V624-L659 HydrophobicContact CB-CB 4.46Å; V624-L659 PolarHBondContact N-O 3.17Å; V624-L659 PolarHBondContact O-N 3.39Å; L659-L702 HydrophobicContact CD2-CD2 3.74Å |
| 660 | V | 88.2 | Confident | 88.7 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 107.5 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | V621 V686 V703 V716 | V621-V660 HydrophobicContact CG1-CG1 3.83Å; V660-V686 HydrophobicContact CG2-CG1 4.15Å; V660-V686 HydrophobicContact CG2-CG2 4.13Å; V660-V703 HydrophobicContact CG2-CG2 3.5Å; V660-V703 VanDerWaalsContact CG2-CG2 3.5Å; V660-V716 HydrophobicContact CG1-CG2 3.84Å |
| 661 | S | 88.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 144.7 | 166.2 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | Y53 Q622 | Y53-S661 WeakPolarHBondContact OH-CA 3.34Å; Q622-S661 PolarHBondContact N-O 2.82Å; Q622-S661 VanDerWaalsContact N-O 3.07Å; Q622-S661 PolarHBondContact O-N 2.95Å |
| 662 | S | 88.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 141.6 | -178.3 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | G620 L674 | G620-S662 WeakPolarHBondContact O-CA 3.48Å; S662-L674 WeakPolarHBondContact O-CB 3.43Å; S662-L674 PolarHBondContact O-N 2.84Å |
| 663 | W | 89.2 | Confident | 88.8 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.076 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 156.2 | 177.3 | 60.5 | 90.4 | 0 | 0 | 0 | 110.9 | V2 M31 L619 G620 Q622 T672 | V2-W663 HydrophobicContact CB-CG 4.25Å; V2-W663 HydrophobicContact CG1-CB 3.91Å; V2-W663 HydrophobicContact CG1-CD2 3.96Å; V2-W663 HydrophobicContact CG1-CE3 4.32Å; V2-W663 HydrophobicContact CG1-CG 3.77Å; V2-W663 HydrophobicContact CG2-CB 4.22Å; V2-W663 HydrophobicContact CG2-CG 3.86Å; M31-W663 HydrophobicContact CE-CD2 3.75Å; M31-W663 HydrophobicContact CE-CE3 3.67Å; M31-W663 HydrophobicContact CE-CH2 3.44Å; M31-W663 VanDerWaalsContact CE-CH2 3.44Å; M31-W663 HydrophobicContact CE-CZ2 3.49Å; M31-W663 VanDerWaalsContact CE-CZ2 3.49Å; M31-W663 HydrophobicContact CE-CZ3 3.52Å; M31-W663 HydrophobicContact SD-CD2 4.48Å; M31-W663 HydrophobicContact SD-CH2 3.67Å; M31-W663 HydrophobicContact SD-CZ2 3.3Å; M31-W663 WeakPolarHBondContact SD-CZ2 3.41Å; M31-W663 HydrophobicContact SD-CZ3 4.37Å; L619-W663 WeakPolarHBondContact CA-O 3.48Å; G620-W663 VanDerWaalsContact CA-CZ2 3.47Å; G620-W663 PolarHBondContact N-O 2.83Å; G620-W663 PolarHBondContact O-N 3.17Å; G620-W663 VanDerWaalsContact O-N 3.08Å; Q622-W663 HydrophobicContact CB-CH2 3.97Å; Q622-W663 HydrophobicContact CB-CZ3 3.72Å; W663-T672 WeakPolarHBondContact CA-O 3.35Å |
| 664 | V | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.5 | -178.1 | -180 | 0 | 0 | 0 | 0 | 108.4 | I616 L619 F666 Q671 T672 L674 M718 | I616-V664 HydrophobicContact CB-CG1 4.18Å; I616-V664 HydrophobicContact CD1-CG1 3.62Å; I616-V664 HydrophobicContact CG1-CG1 3.55Å; I616-V664 HydrophobicContact CG2-CG1 3.78Å; L619-V664 HydrophobicContact CD1-CG2 4.23Å; V664-F666 HydrophobicContact CB-CE1 4.45Å; V664-F666 HydrophobicContact CB-CZ 4.16Å; V664-F666 HydrophobicContact CG1-CD1 3.92Å; V664-F666 HydrophobicContact CG1-CE1 3.4Å; V664-F666 HydrophobicContact CG1-CE2 4.22Å; V664-F666 HydrophobicContact CG1-CZ 3.57Å; V664-Q671 WeakPolarHBondContact O-CA 3.44Å; V664-T672 PolarHBondContact N-O 3.29Å; V664-T672 PolarHBondContact O-N 2.9Å; V664-L674 HydrophobicContact CG2-CD1 4.1Å; V664-M718 HydrophobicContact CG2-SD 4.43Å |
| 665 | Q | 91.5 | Very high | 88.8 | Confident | 50 Ų | 50 | 39.2 Ų | 39.2 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.7 | 164.6 | -173.8 | 166.8 | -26.9 | 0 | 0 | 110 | I616 T617 E618 Q671 | I616-Q665 CarbonylContact C-O 3.29Å; I616-Q665 WeakPolarHBondContact CA-O 3.45Å; T617-Q665 PolarHBondContact N-O 2.03Å; T617-Q665 PolarHBondContact OG1-O 3.04Å; E618-Q665 HydrophobicContact CB-CB 4.11Å; E618-Q665 PolarHBondContact O-N 2.81Å; Q665-Q671 HydrophobicContact CB-CG 3.96Å; Q665-Q671 HydrophobicContact CG-CG 3.71Å |
| 666 | F | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 168.8 | -179.1 | -58.9 | -69.7 | 0 | 0 | 0 | 111.8 | I492 Q524 V614 S615 I616 T617 V664 D668 G669 N670 T672 | I492-F666 HydrophobicContact CB-CE1 4.47Å; I492-F666 HydrophobicContact CD1-CE1 3.6Å; I492-F666 HydrophobicContact CD1-CZ 3.73Å; I492-F666 HydrophobicContact CG1-CD1 4.45Å; I492-F666 HydrophobicContact CG1-CE1 3.72Å; I492-F666 HydrophobicContact CG1-CZ 4.24Å; I492-F666 HydrophobicContact CG2-CD1 4.43Å; I492-F666 HydrophobicContact CG2-CE1 3.92Å; Q524-F666 HydrophobicContact CG-CD2 4.32Å; Q524-F666 HydrophobicContact CG-CE1 4.43Å; Q524-F666 HydrophobicContact CG-CE2 3.95Å; Q524-F666 HydrophobicContact CG-CZ 4.01Å; V614-F666 HydrophobicContact CB-CB 4.46Å; V614-F666 HydrophobicContact CG2-CB 4.44Å; V614-F666 HydrophobicContact CG2-CD1 4.18Å; V614-F666 HydrophobicContact CG2-CG 4.47Å; S615-F666 CarbonylContact O-C 3.55Å; S615-F666 WeakPolarHBondContact O-CA 3.38Å; I616-F666 HydrophobicContact CG1-CD1 4.22Å; I616-F666 HydrophobicContact CG1-CE1 4.08Å; T617-F666 PolarHBondContact OG1-O 3.01Å; V664-F666 HydrophobicContact CB-CE1 4.45Å; V664-F666 HydrophobicContact CB-CZ 4.16Å; V664-F666 HydrophobicContact CG1-CD1 3.92Å; V664-F666 HydrophobicContact CG1-CE1 3.4Å; V664-F666 HydrophobicContact CG1-CE2 4.22Å; V664-F666 HydrophobicContact CG1-CZ 3.57Å; F666-D668 VanDerWaalsContact C-N 3.25Å; F666-D668 WeakPolarHBondContact CB-OD1 3.21Å; F666-D668 PolarHBondContact O-N 3Å; F666-G669 PolarHBondContact O-N 3.43Å; F666-N670 PolarHBondContact N-O 3Å; F666-T672 HydrophobicContact CE2-CG2 4.1Å; F666-T672 WeakPolarHBondContact CE2-OG1 3.33Å |
| 667 | S | 93.3 | Very high | 88.9 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 42% | 0.42 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.9 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 115 | V614 S615 | V614-S667 WeakPolarHBondContact CA-OG 3.33Å; S615-S667 PolarHBondContact N-OG 3.33Å; S615-S667 PolarHBondContact O-N 3.06Å |
| 668 | D | 89.8 | Confident | 88.8 | Confident | 68 Ų | 68 | 29.5 Ų | 29.5 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.8 | 171.2 | 49.4 | 26.5 | 0 | 0 | 0 | 112.6 | Q524 V614 F666 N670 | Q524-D668 PolarHBondContact NE2-OD2 2.72Å; V614-D668 HydrophobicContact CG1-CB 4.22Å; V614-D668 WeakPolarHBondContact CG1-OD2 3.36Å; F666-D668 VanDerWaalsContact C-N 3.25Å; F666-D668 WeakPolarHBondContact CB-OD1 3.21Å; F666-D668 PolarHBondContact O-N 3Å; D668-N670 WeakPolarHBondContact OD1-CB 3.34Å; D668-N670 PolarHBondContact OD1-N 2.88Å |
| 669 | G | 86.2 | Confident | 88.7 | Confident | 45 Ų | 45 | 34 Ų | 34 | 46% | 0.464 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 98.9 | -10.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F666 | F666-G669 PolarHBondContact O-N 3.43Š|
| 670 | N | 86.3 | Confident | 88.6 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | trans | -71.7 | 150.3 | 177.4 | -70.8 | -14.5 | 0 | 0 | 0 | 111.3 | D486 F666 D668 | D486-N670 PolarHBondContact OD1-ND2 2.89Å; D486-N670 PolarHBondContact OD2-ND2 2.95Å; F666-N670 PolarHBondContact N-O 3Å; D668-N670 WeakPolarHBondContact OD1-CB 3.34Å; D668-N670 PolarHBondContact OD1-N 2.88Å | ||
| 671 | Q | 85.5 | Confident | 88.6 | Confident | 60 Ų | 60 | 36.1 Ų | 36.1 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 127.4 | -176.1 | -65.8 | 171.8 | -36.2 | 0 | 0 | 109.3 | V2 V664 Q665 | V2-Q671 HydrophobicContact CG2-CB 3.56Å; V2-Q671 HydrophobicContact CG2-CG 4.16Å; V664-Q671 WeakPolarHBondContact O-CA 3.44Å; Q665-Q671 HydrophobicContact CB-CG 3.96Å; Q665-Q671 HydrophobicContact CG-CG 3.71Å |
| 672 | T | 87.1 | Confident | 88.6 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.1 | 179.2 | 57 | 0 | 0 | 0 | 0 | 111.2 | W663 V664 F666 I676 Y677 | W663-T672 WeakPolarHBondContact CA-O 3.35Å; V664-T672 PolarHBondContact N-O 3.29Å; V664-T672 PolarHBondContact O-N 2.9Å; F666-T672 HydrophobicContact CE2-CG2 4.1Å; F666-T672 WeakPolarHBondContact CE2-OG1 3.33Å; T672-I676 HydrophobicContact CG2-CD1 3.92Å; T672-Y677 PolarHBondContact OG1-OH 2.83Å |
| 673 | P | 88.4 | Confident | 88.6 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 139.6 | 168.7 | 26.7 | -30.7 | 0 | 0 | 0 | 109.4 | P5 D675 I676 | P5-P673 HydrophobicContact CB-CB 4.34Å; P5-P673 HydrophobicContact CG-CB 4.33Å; P673-D675 PolarHBondContact O-N 2.95Å; P673-I676 HydrophobicContact CG-CG2 4.17Å; P673-I676 WeakPolarHBondContact O-CG1 3.46Å; P673-I676 PolarHBondContact O-N 3.4Å |
| 674 | L | 88.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -68.7 | -20.7 | -171.3 | -173.6 | 55.2 | 0 | 0 | 0 | 112.4 | W495 S662 V664 I676 Y677 Y682 L684 M718 | W495-L674 HydrophobicContact CH2-CD1 3.75Å; W495-L674 HydrophobicContact CZ2-CD1 4.47Å; W495-L674 HydrophobicContact CZ3-CD1 4.42Å; S662-L674 WeakPolarHBondContact O-CB 3.43Å; S662-L674 PolarHBondContact O-N 2.84Å; V664-L674 HydrophobicContact CG2-CD1 4.1Å; L674-I676 PolarHBondContact O-N 2.98Å; L674-I676 VanDerWaalsContact O-N 3.1Å; L674-Y677 HydrophobicContact CD1-CD2 4.12Å; L674-Y677 PolarHBondContact O-N 2.8Å; L674-Y677 VanDerWaalsContact O-N 3.08Å; L674-Y682 HydrophobicContact CD1-CD1 4.3Å; L674-Y682 HydrophobicContact CD1-CD2 4.45Å; L674-Y682 HydrophobicContact CD1-CE1 4.09Å; L674-Y682 HydrophobicContact CD1-CE2 4.26Å; L674-Y682 HydrophobicContact CD1-CG 4.48Å; L674-Y682 HydrophobicContact CD2-CD2 3.96Å; L674-Y682 HydrophobicContact CD2-CE2 3.56Å; L674-Y682 HydrophobicContact CG-CD2 4.35Å; L674-Y682 HydrophobicContact CG-CE1 4.18Å; L674-Y682 HydrophobicContact CG-CE2 3.76Å; L674-L684 HydrophobicContact CD2-CD1 4.17Å; L674-L684 HydrophobicContact CD2-CD2 3.82Å; L674-L684 HydrophobicContact CD2-CG 4.31Å; L674-M718 HydrophobicContact CD1-CE 3.79Å; L674-M718 HydrophobicContact CD2-CE 4.5Å; L674-M718 HydrophobicContact CD2-SD 4.43Å |
| 675 | D | 85 | Confident | 88.6 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -61.9 | -13.1 | 178.6 | -53.9 | -37.5 | 0 | 0 | 0 | 114.5 | P5 Y53 P673 Y677 | P5-D675 WeakPolarHBondContact CG-OD2 3.28Å; Y53-D675 WeakPolarHBondContact CE2-OD2 3.34Å; Y53-D675 PolarHBondContact OH-OD2 2.75Å; P673-D675 PolarHBondContact O-N 2.95Å; D675-Y677 VanDerWaalsContact C-N 3.31Å |
| 676 | I | 88.3 | Confident | 88.6 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -84.6 | -3.5 | 174.7 | 76.9 | -179.7 | 0 | 0 | 0 | 113.5 | H525 L527 V580 T672 P673 L674 | H525-I676 HydrophobicContact CB-CD1 3.65Å; H525-I676 HydrophobicContact CB-CG1 3.93Å; H525-I676 PolarHBondContact ND1-O 2.79Å; H525-I676 WeakPolarHBondContact O-CD1 3.43Å; L527-I676 HydrophobicContact CD2-CG2 3.86Å; L527-I676 HydrophobicContact CG-CG2 4.39Å; V580-I676 HydrophobicContact CG1-CB 4.16Å; V580-I676 HydrophobicContact CG2-CB 4.3Å; V580-I676 HydrophobicContact CG2-CG2 4.5Å; T672-I676 HydrophobicContact CG2-CD1 3.92Å; P673-I676 HydrophobicContact CG-CG2 4.17Å; P673-I676 WeakPolarHBondContact O-CG1 3.46Å; P673-I676 PolarHBondContact O-N 3.4Å; L674-I676 PolarHBondContact O-N 2.98Å; L674-I676 VanDerWaalsContact O-N 3.1Å |
| 677 | Y | 90 | Very high | 88.6 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -108.1 | 144.7 | 176.6 | -59.8 | -91.9 | 0 | 0 | 0 | 109.9 | I492 W495 Q522 H525 T672 L674 D675 P679 | I492-Y677 HydrophobicContact CD1-CE1 4.36Å; W495-Y677 AromaticContact CH2-CD1 3.67Å; W495-Y677 HydrophobicContact CH2-CD1 3.67Å; W495-Y677 AromaticContact CH2-CD2 3.9Å; W495-Y677 HydrophobicContact CH2-CD2 3.9Å; W495-Y677 HydrophobicContact CH2-CE1 4.15Å; W495-Y677 HydrophobicContact CH2-CE2 4.35Å; W495-Y677 AromaticContact CH2-CG 3.53Å; W495-Y677 HydrophobicContact CH2-CG 3.53Å; W495-Y677 HydrophobicContact CZ2-CD1 4.34Å; W495-Y677 HydrophobicContact CZ2-CG 4.28Å; W495-Y677 HydrophobicContact CZ3-CD1 4.22Å; W495-Y677 HydrophobicContact CZ3-CD2 4.46Å; W495-Y677 HydrophobicContact CZ3-CE1 4.24Å; W495-Y677 HydrophobicContact CZ3-CE2 4.48Å; W495-Y677 HydrophobicContact CZ3-CG 4.34Å; Q522-Y677 HydrophobicContact CG-CD1 4.2Å; Q522-Y677 HydrophobicContact CG-CE1 4.22Å; H525-Y677 HydrophobicContact CB-CD1 4.45Å; H525-Y677 HydrophobicContact CB-CE1 3.87Å; H525-Y677 AromaticContact CD2-CD1 3.98Å; H525-Y677 AromaticContact CD2-CE1 3.72Å; H525-Y677 AromaticContact CE1-CD1 3.72Å; H525-Y677 AromaticContact CG-CD1 3.79Å; H525-Y677 AromaticContact CG-CE1 3.56Å; H525-Y677 PolarHBondContact N-OH 2.92Å; H525-Y677 AromaticContact ND1-CD1 3.62Å; H525-Y677 AromaticContact ND1-CE1 3.89Å; H525-Y677 AromaticContact NE2-CD1 3.96Å; T672-Y677 PolarHBondContact OG1-OH 2.83Å; L674-Y677 HydrophobicContact CD1-CD2 4.12Å; L674-Y677 PolarHBondContact O-N 2.8Å; L674-Y677 VanDerWaalsContact O-N 3.08Å; D675-Y677 VanDerWaalsContact C-N 3.31Å; Y677-P679 WeakPolarHBondContact O-CD 3.33Å |
| 678 | D | 87.9 | Confident | 88.6 | Confident | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | trans | -57.8 | 122.3 | 177.8 | -176.2 | -17.3 | 0 | 0 | 0 | 111 | A680 N681 Y682 | D678-A680 PolarHBondContact O-N 2.95Å; D678-A680 VanDerWaalsContact OD1-CB 3.28Å; D678-A680 WeakPolarHBondContact OD1-CB 3.47Å; D678-A680 PolarHBondContact OD1-N 2.91Å; D678-N681 WeakPolarHBondContact O-CB 3.19Å; D678-N681 PolarHBondContact O-N 2.88Å; D678-Y682 WeakPolarHBondContact O-CD1 3.37Å; D678-Y682 WeakPolarHBondContact O-CE1 2.99Å | ||
| 679 | P | 87.3 | Confident | 88.8 | Confident | 97 Ų | 97 | 45.1 Ų | 45.1 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -14.5 | 175.9 | -27.2 | 36.9 | 0 | 0 | 0 | 115.3 | Y677 Y682 | Y677-P679 WeakPolarHBondContact O-CD 3.33Å; P679-Y682 VanDerWaalsContact O-O 3.07Å |
| 680 | A | 86.4 | Confident | 89 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 56% | 0.562 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D678 C721 | D678-A680 PolarHBondContact O-N 2.95Å; D678-A680 VanDerWaalsContact OD1-CB 3.28Å; D678-A680 WeakPolarHBondContact OD1-CB 3.47Å; D678-A680 PolarHBondContact OD1-N 2.91Å; A680-C721 VanDerWaalsContact O-CB 3.29Å; A680-C721 WeakPolarHBondContact O-CB 3.49Å |
| 681 | N | 87.9 | Confident | 89.3 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -85.5 | -10.6 | -175.2 | -79.8 | -14.6 | 0 | 0 | 0 | 114 | W495 V497 D678 | W495-N681 PolarHBondContact NE1-O 3Å; V497-N681 HydrophobicContact CB-CB 4.48Å; V497-N681 HydrophobicContact CG1-CB 3.58Å; D678-N681 WeakPolarHBondContact O-CB 3.19Å; D678-N681 PolarHBondContact O-N 2.88Å |
| 682 | Y | 89.1 | Confident | 89.3 | Confident | 27 Ų | 27 | 51 Ų | 51 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 172.4 | 178.8 | 63 | -84.1 | 0 | 0 | 0 | 110.9 | W495 L674 D678 P679 L684 M718 S719 | W495-Y682 AromaticContact CZ2-CD1 3.84Å; W495-Y682 HydrophobicContact CZ2-CD1 3.84Å; W495-Y682 HydrophobicContact CZ2-CG 4.21Å; L674-Y682 HydrophobicContact CD1-CD1 4.3Å; L674-Y682 HydrophobicContact CD1-CD2 4.45Å; L674-Y682 HydrophobicContact CD1-CE1 4.09Å; L674-Y682 HydrophobicContact CD1-CE2 4.26Å; L674-Y682 HydrophobicContact CD1-CG 4.48Å; L674-Y682 HydrophobicContact CD2-CD2 3.96Å; L674-Y682 HydrophobicContact CD2-CE2 3.56Å; L674-Y682 HydrophobicContact CG-CD2 4.35Å; L674-Y682 HydrophobicContact CG-CE1 4.18Å; L674-Y682 HydrophobicContact CG-CE2 3.76Å; D678-Y682 WeakPolarHBondContact O-CD1 3.37Å; D678-Y682 WeakPolarHBondContact O-CE1 2.99Å; P679-Y682 VanDerWaalsContact O-O 3.07Å; Y682-L684 HydrophobicContact CD2-CD2 4.3Å; Y682-L684 HydrophobicContact CD2-CG 4.07Å; Y682-L684 HydrophobicContact CE2-CD1 4.23Å; Y682-L684 HydrophobicContact CE2-CD2 4.44Å; Y682-L684 HydrophobicContact CE2-CG 3.92Å; Y682-M718 HydrophobicContact CG-CE 4.19Å; Y682-S719 CarbonylContact C-O 3.52Å |
| 683 | R | 88.6 | Confident | 89.5 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 116.1 | 172.7 | -177.1 | -164.3 | -154.3 | 148.2 | 21 | 110 | S719 E722 | R683-S719 PolarHBondContact N-O 2.97Å; R683-S719 PolarHBondContact O-N 2.95Å; R683-S719 PolarHBondContact O-OG 3.29Å; R683-E722 IonicContact CZ-OE1 2.84Å; R683-E722 IonicContact NH1-OE1 2.63Å; R683-E722 PolarHBondContact NH1-OE1 2.97Å; R683-E722 IonicContact NH2-OE1 2.72Å; R683-E722 PolarHBondContact NH2-OE1 2.85Å; R683-E722 VanDerWaalsContact NH2-OE1 3.08Å |
| 684 | L | 89.6 | Confident | 89.7 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.1 | 166.3 | -60.3 | -179.1 | 0 | 0 | 0 | 109.9 | L674 Y682 V716 E717 M718 | L674-L684 HydrophobicContact CD2-CD1 4.17Å; L674-L684 HydrophobicContact CD2-CD2 3.82Å; L674-L684 HydrophobicContact CD2-CG 4.31Å; Y682-L684 HydrophobicContact CD2-CD2 4.3Å; Y682-L684 HydrophobicContact CD2-CG 4.07Å; Y682-L684 HydrophobicContact CE2-CD1 4.23Å; Y682-L684 HydrophobicContact CE2-CD2 4.44Å; Y682-L684 HydrophobicContact CE2-CG 3.92Å; L684-V716 HydrophobicContact CB-CG1 4.41Å; L684-V716 HydrophobicContact CD2-CG1 3.97Å; L684-E717 WeakPolarHBondContact CA-O 3.27Å; L684-M718 HydrophobicContact CD2-CB 3.96Å; L684-M718 HydrophobicContact CD2-CG 4.2Å |
| 685 | T | 89.9 | Confident | 89.8 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.1 | 161.5 | 48.5 | 0 | 0 | 0 | 0 | 109 | E717 | T685-E717 PolarHBondContact N-O 3.37Å; T685-E717 PolarHBondContact O-N 2.84Å |
| 686 | V | 92.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.7 | 176.8 | -175 | 0 | 0 | 0 | 0 | 108.7 | V660 V696 P701 V703 V714 R715 V716 | V660-V686 HydrophobicContact CG2-CG1 4.15Å; V660-V686 HydrophobicContact CG2-CG2 4.13Å; V686-V696 HydrophobicContact CB-CG1 4.06Å; V686-V696 HydrophobicContact CG1-CG1 4.07Å; V686-V696 HydrophobicContact CG1-CG2 4.02Å; V686-P701 HydrophobicContact CB-CB 3.96Å; V686-P701 HydrophobicContact CB-CG 4.16Å; V686-P701 HydrophobicContact CG2-CB 3.9Å; V686-P701 HydrophobicContact CG2-CG 3.55Å; V686-V703 HydrophobicContact CG1-CG2 4.3Å; V686-V714 HydrophobicContact CG1-CG1 3.44Å; V686-V714 VanDerWaalsContact CG1-CG1 3.44Å; V686-R715 CarbonylContact C-O 3.55Å; V686-R715 WeakPolarHBondContact CA-O 3.44Å; V686-V716 HydrophobicContact CG1-CG2 4.44Å; V686-V716 HydrophobicContact CG2-CG1 4.35Å; V686-V716 HydrophobicContact CG2-CG2 4.24Å |
| 687 | T | 92.6 | Very high | 90.1 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 110 | R715 | T687-R715 PolarHBondContact N-O 3.41Å; T687-R715 PolarHBondContact O-N 3.17Å; T687-R715 PolarHBondContact OG1-O 2.87Å |
| 688 | S | 93.3 | Very high | 89.5 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 142.5 | 167.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | D690 V694 | S688-D690 PolarHBondContact OG-N 2.84Å; S688-D690 VanDerWaalsContact OG-N 3.15Å; S688-D690 PolarHBondContact OG-O 2.93Å; S688-V694 WeakPolarHBondContact CB-O 3.46Å; S688-V694 PolarHBondContact OG-O 3.28Å |
| 689 | L | 93.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 48% | 0.482 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -90.8 | -22.4 | 171.8 | -62.9 | 170.9 | 0 | 0 | 0 | 111.8 | V712 L713 R715 | L689-V712 HydrophobicContact CD1-CG1 3.87Å; L689-V712 WeakPolarHBondContact CD1-O 3.49Å; L689-L713 PolarHBondContact N-O 3.4Å; L689-R715 HydrophobicContact CD1-CB 4.28Å; L689-R715 HydrophobicContact CD2-CB 3.95Å; L689-R715 HydrophobicContact CG-CB 4.13Å |
| 690 | D | 92.2 | Very high | 88.1 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | trans | -138.1 | 104.7 | 172.7 | -171.1 | -23.9 | 0 | 0 | 0 | 110.4 | S688 G692 V693 V694 L713 | S688-D690 PolarHBondContact OG-N 2.84Å; S688-D690 VanDerWaalsContact OG-N 3.15Å; S688-D690 PolarHBondContact OG-O 2.93Å; D690-G692 PolarHBondContact O-N 2.84Å; D690-G692 WeakPolarHBondContact OD1-CA 3.49Å; D690-G692 PolarHBondContact OD1-N 2.99Å; D690-V693 HydrophobicContact CB-CG2 4.3Å; D690-V693 PolarHBondContact O-N 3.46Å; D690-V693 PolarHBondContact OD1-N 3.08Å; D690-V694 PolarHBondContact O-N 3.45Å; D690-L713 HydrophobicContact CB-CD2 4.17Å | ||
| 691 | Q | 90.8 | Very high | 87.9 | Confident | 155 Ų | 155 | 63.4 Ų | 63.4 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13 | -179.7 | -64.6 | -176.6 | 10.7 | 0 | 0 | 113.9 | V694 | Q691-V694 WeakPolarHBondContact CA-O 3.35Š|
| 692 | G | 87.1 | Confident | 87.9 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -27.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D690 G707 | D690-G692 PolarHBondContact O-N 2.84Å; D690-G692 WeakPolarHBondContact OD1-CA 3.49Å; D690-G692 PolarHBondContact OD1-N 2.99Å; G692-G707 WeakPolarHBondContact O-CA 3.21Å; G692-G707 PolarHBondContact O-N 2.87Å |
| 693 | V | 89.9 | Confident | 87.9 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -43.3 | 176.6 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | D690 E706 G707 L713 V742 | D690-V693 HydrophobicContact CB-CG2 4.3Å; D690-V693 PolarHBondContact O-N 3.46Å; D690-V693 PolarHBondContact OD1-N 3.08Å; V693-E706 PolarHBondContact O-N 3.22Å; V693-G707 WeakPolarHBondContact CG1-O 3.48Å; V693-G707 PolarHBondContact O-N 3.07Å; V693-L713 HydrophobicContact CB-CD1 4.42Å; V693-L713 HydrophobicContact CB-CD2 4.3Å; V693-L713 HydrophobicContact CG1-CD1 3.72Å; V693-L713 HydrophobicContact CG1-CD2 4.37Å; V693-L713 HydrophobicContact CG2-CD2 4.49Å; V693-V742 HydrophobicContact CG1-CB 4.11Å; V693-V742 HydrophobicContact CG1-CG2 3.87Å |
| 694 | V | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.8 | -169.9 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | S688 D690 Q691 V703 V704 L713 V714 L740 V742 | S688-V694 WeakPolarHBondContact CB-O 3.46Å; S688-V694 PolarHBondContact OG-O 3.28Å; D690-V694 PolarHBondContact O-N 3.45Å; Q691-V694 WeakPolarHBondContact CA-O 3.35Å; V694-V703 HydrophobicContact CG1-CG1 3.4Å; V694-V703 VanDerWaalsContact CG1-CG1 3.4Å; V694-V704 CarbonylContact C-O 3.59Å; V694-V704 VanDerWaalsContact CA-O 3.31Å; V694-V704 WeakPolarHBondContact CA-O 3.36Å; V694-L713 HydrophobicContact CG2-CB 4.19Å; V694-L713 HydrophobicContact CG2-CD1 3.91Å; V694-V714 HydrophobicContact CG1-CG2 4.35Å; V694-L740 HydrophobicContact CG2-CD2 3.81Å; V694-V742 HydrophobicContact CG2-CG2 3.99Å |
| 695 | S | 92.4 | Very high | 88.2 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 166.4 | 167.2 | 76.4 | 0 | 0 | 0 | 0 | 111.9 | Q697 V704 E706 | S695-Q697 PolarHBondContact OG-NE2 3.37Å; S695-V704 PolarHBondContact N-O 2.93Å; S695-V704 PolarHBondContact O-N 2.81Å; S695-E706 WeakPolarHBondContact CB-OE1 3.29Å; S695-E706 PolarHBondContact OG-OE1 2.88Å |
| 696 | V | 91.3 | Very high | 88.3 | Confident | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.7 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | V686 P701 L702 | V686-V696 HydrophobicContact CB-CG1 4.06Å; V686-V696 HydrophobicContact CG1-CG1 4.07Å; V686-V696 HydrophobicContact CG1-CG2 4.02Å; V696-P701 HydrophobicContact CG1-CB 3.99Å; V696-L702 CarbonylContact C-O 3.55Å; V696-L702 WeakPolarHBondContact CA-O 2.96Å |
| 697 | Q | 87.2 | Confident | 88.1 | Confident | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 166.1 | -169.8 | -53.8 | -167.8 | 33.3 | 0 | 0 | 111.7 | S695 P701 L702 V704 E706 | S695-Q697 PolarHBondContact OG-NE2 3.37Å; Q697-P701 WeakPolarHBondContact O-CA 3.31Å; Q697-L702 PolarHBondContact N-O 3.21Å; Q697-L702 PolarHBondContact O-N 3.38Å; Q697-V704 HydrophobicContact CB-CG2 4.21Å; Q697-V704 HydrophobicContact CG-CG2 4Å; Q697-E706 PolarHBondContact NE2-OE1 2.83Å |
| 698 | G | 77.9 | Confident | 88 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -178.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | P700 | G698-P700 CarbonylContact C-O 3.52Å; G698-P700 VanDerWaalsContact C-O 3.29Å |
| 699 | R | 73.4 | Confident | 87.9 | Confident | 245 Ų | 245 | 60.4 Ų | 60.4 | 93% | 0.925 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.8 | 110.9 | 167.8 | -66.4 | -173.4 | -175.2 | 173.9 | 3 | 107 | ||
| 700 | P | 72.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 69% | 0.688 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -58.2 | 158.3 | 0.6 | 27.5 | -36.8 | 0 | 0 | 0 | 113.4 | G698 L702 | G698-P700 CarbonylContact C-O 3.52Å; G698-P700 VanDerWaalsContact C-O 3.29Å; P700-L702 PolarHBondContact O-N 2.82Å |
| 701 | P | 82.3 | Confident | 87.7 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 29% | 0.286 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 124.5 | -177.5 | 28.4 | -33.5 | 0 | 0 | 0 | 111.4 | V686 V696 Q697 | V686-P701 HydrophobicContact CB-CB 3.96Å; V686-P701 HydrophobicContact CB-CG 4.16Å; V686-P701 HydrophobicContact CG2-CB 3.9Å; V686-P701 HydrophobicContact CG2-CG 3.55Å; V696-P701 HydrophobicContact CG1-CB 3.99Å; Q697-P701 WeakPolarHBondContact O-CA 3.31Å |
| 702 | L | 86.8 | Confident | 87.7 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143.6 | 174.6 | -60.7 | 173.9 | 0 | 0 | 0 | 109.6 | L659 V696 Q697 P700 | L659-L702 HydrophobicContact CD2-CD2 3.74Å; V696-L702 CarbonylContact C-O 3.55Å; V696-L702 WeakPolarHBondContact CA-O 2.96Å; Q697-L702 PolarHBondContact N-O 3.21Å; Q697-L702 PolarHBondContact O-N 3.38Å; P700-L702 PolarHBondContact O-N 2.82Å |
| 703 | V | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.3 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | V623 E657 A658 V660 V686 V694 V714 L740 | V623-V703 HydrophobicContact CG1-CB 4.3Å; V623-V703 HydrophobicContact CG1-CG1 4.19Å; E657-V703 CarbonylContact C-O 3.56Å; E657-V703 WeakPolarHBondContact CA-O 3.42Å; A658-V703 HydrophobicContact CB-CB 4.32Å; A658-V703 PolarHBondContact N-O 3.07Å; A658-V703 PolarHBondContact O-N 3.22Å; V660-V703 HydrophobicContact CG2-CG2 3.5Å; V660-V703 VanDerWaalsContact CG2-CG2 3.5Å; V686-V703 HydrophobicContact CG1-CG2 4.3Å; V694-V703 HydrophobicContact CG1-CG1 3.4Å; V694-V703 VanDerWaalsContact CG1-CG1 3.4Å; V703-V714 HydrophobicContact CG1-CG2 3.92Å; V703-V714 HydrophobicContact CG2-CG1 4.46Å; V703-V714 HydrophobicContact CG2-CG2 4.24Å; V703-L740 HydrophobicContact CG1-CD2 3.89Å |
| 704 | V | 91.4 | Very high | 88 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.6 | -170.1 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | K655 Q656 E657 V694 S695 Q697 E706 | K655-V704 HydrophobicContact CB-CG1 4.34Å; Q656-V704 WeakPolarHBondContact O-CA 3.3Å; E657-V704 HydrophobicContact CG-CG2 4.33Å; V694-V704 CarbonylContact C-O 3.59Å; V694-V704 VanDerWaalsContact CA-O 3.31Å; V694-V704 WeakPolarHBondContact CA-O 3.36Å; S695-V704 PolarHBondContact N-O 2.93Å; S695-V704 PolarHBondContact O-N 2.81Å; Q697-V704 HydrophobicContact CB-CG2 4.21Å; Q697-V704 HydrophobicContact CG-CG2 4Å; V704-E706 PolarHBondContact O-N 3.09Å |
| 705 | A | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L651 K655 Q656 V742 F744 | L651-A705 HydrophobicContact CB-CB 3.92Å; L651-A705 HydrophobicContact CD1-CB 3.82Å; L651-A705 HydrophobicContact CG-CB 4.35Å; K655-A705 VanDerWaalsContact CA-O 3.29Å; K655-A705 WeakPolarHBondContact CA-O 3.33Å; K655-A705 PolarHBondContact N-O 2.93Å; Q656-A705 PolarHBondContact O-N 2.85Å; A705-V742 HydrophobicContact CB-CG1 3.67Å; A705-V742 HydrophobicContact CB-CG2 4.48Å; A705-F744 HydrophobicContact CB-CE1 4.03Å; A705-F744 HydrophobicContact CB-CZ 4.37Å |
| 706 | E | 92.4 | Very high | 88.2 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | trans | -108.7 | -35 | 173.2 | -57.3 | -65.9 | 172.1 | 0 | 0 | 112 | V693 S695 Q697 V704 | V693-E706 PolarHBondContact O-N 3.22Å; S695-E706 WeakPolarHBondContact CB-OE1 3.29Å; S695-E706 PolarHBondContact OG-OE1 2.88Å; Q697-E706 PolarHBondContact NE2-OE1 2.83Å; V704-E706 PolarHBondContact O-N 3.09Å | ||
| 707 | G | 88.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -148.7 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G692 V693 V742 | G692-G707 WeakPolarHBondContact O-CA 3.21Å; G692-G707 PolarHBondContact O-N 2.87Å; V693-G707 WeakPolarHBondContact CG1-O 3.48Å; V693-G707 PolarHBondContact O-N 3.07Å; G707-V742 WeakPolarHBondContact O-CB 3.45Å; G707-V742 WeakPolarHBondContact O-CG1 3.35Å |
| 708 | E | 91.2 | Very high | 88.5 | Confident | 113 Ų | 113 | 52.9 Ų | 52.9 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | trans | -79.5 | 142.6 | 177 | -60.3 | -161.6 | 137.3 | 0 | 0 | 112.1 | V742 F744 | E708-V742 WeakPolarHBondContact CA-O 3.31Å; E708-F744 HydrophobicContact CG-CD2 3.56Å; E708-F744 HydrophobicContact CG-CE2 3.93Å; E708-F744 HydrophobicContact CG-CG 4.13Å; E708-F744 PolarHBondContact OE1-N 3.47Å | ||
| 709 | G | 89.5 | Confident | 89.1 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | 166 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V742 | G709-V742 PolarHBondContact N-O 3.21Å; G709-V742 PolarHBondContact O-N 2.8Å |
| 710 | E | 91.6 | Very high | 89.9 | Confident | 131 Ų | 131 | 38.8 Ų | 38.8 | 61% | 0.612 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 136.5 | -175.7 | 179 | 167.4 | -150.2 | 0 | 0 | 111.1 | K741 | E710-K741 HydrophobicContact CB-CG 4.18Å; E710-K741 HydrophobicContact CG-CB 4.27Å; E710-K741 HydrophobicContact CG-CG 4.02Å; E710-K741 WeakPolarHBondContact OE1-CD 3.35Å; E710-K741 IonicContact OE1-NZ 2.66Å; E710-K741 PolarHBondContact OE1-NZ 2.88Å; E710-K741 IonicContact OE2-NZ 2.65Å; E710-K741 PolarHBondContact OE2-NZ 2.87Å |
| 711 | G | 89.7 | Confident | 90.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -154.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L713 S739 L740 | G711-L713 PolarHBondContact O-N 3.41Å; G711-S739 CarbonylContact O-C 3.49Å; G711-S739 VanDerWaalsContact O-CA 3.23Å; G711-S739 WeakPolarHBondContact O-CA 3.49Å; G711-L740 PolarHBondContact N-O 2.98Å; G711-L740 VanDerWaalsContact N-O 3.14Å; G711-L740 PolarHBondContact O-N 3.06Å |
| 712 | V | 91.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 96.4 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | L689 N737 | L689-V712 HydrophobicContact CD1-CG1 3.87Å; L689-V712 WeakPolarHBondContact CD1-O 3.49Å; V712-N737 HydrophobicContact CG1-CB 3.7Å |
| 713 | L | 91.1 | Very high | 90.2 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -17 | -172.2 | -63.4 | 173.2 | 0 | 0 | 0 | 113.1 | L689 D690 V693 V694 G711 G738 L740 V742 | L689-L713 PolarHBondContact N-O 3.4Å; D690-L713 HydrophobicContact CB-CD2 4.17Å; V693-L713 HydrophobicContact CB-CD1 4.42Å; V693-L713 HydrophobicContact CB-CD2 4.3Å; V693-L713 HydrophobicContact CG1-CD1 3.72Å; V693-L713 HydrophobicContact CG1-CD2 4.37Å; V693-L713 HydrophobicContact CG2-CD2 4.49Å; V694-L713 HydrophobicContact CG2-CB 4.19Å; V694-L713 HydrophobicContact CG2-CD1 3.91Å; G711-L713 PolarHBondContact O-N 3.41Å; L713-G738 PolarHBondContact N-O 2.69Å; L713-L740 HydrophobicContact CD1-CB 4.21Å; L713-L740 HydrophobicContact CD1-CG 4.45Å; L713-V742 HydrophobicContact CD1-CG2 4.5Å |
| 714 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.6 | -175.4 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | V623 V686 V694 V703 V716 N737 G738 | V623-V714 HydrophobicContact CG2-CG2 4.21Å; V686-V714 HydrophobicContact CG1-CG1 3.44Å; V686-V714 VanDerWaalsContact CG1-CG1 3.44Å; V694-V714 HydrophobicContact CG1-CG2 4.35Å; V703-V714 HydrophobicContact CG1-CG2 3.92Å; V703-V714 HydrophobicContact CG2-CG1 4.46Å; V703-V714 HydrophobicContact CG2-CG2 4.24Å; V714-V716 HydrophobicContact CG1-CG2 4.21Å; V714-N737 CarbonylContact O-C 3.55Å; V714-N737 WeakPolarHBondContact O-CA 3.38Å; V714-G738 PolarHBondContact N-O 3.14Å; V714-G738 PolarHBondContact O-N 3.39Å |
| 715 | R | 93.8 | Very high | 89.3 | Confident | 99 Ų | 99 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.5 | 169.8 | 170 | 174.9 | 169.8 | 153.3 | -3.2 | 109.4 | V686 T687 L689 E717 V735 | V686-R715 CarbonylContact C-O 3.55Å; V686-R715 WeakPolarHBondContact CA-O 3.44Å; T687-R715 PolarHBondContact N-O 3.41Å; T687-R715 PolarHBondContact O-N 3.17Å; T687-R715 PolarHBondContact OG1-O 2.87Å; L689-R715 HydrophobicContact CD1-CB 4.28Å; L689-R715 HydrophobicContact CD2-CB 3.95Å; L689-R715 HydrophobicContact CG-CB 4.13Å; R715-E717 HydrophobicContact CG-CG 4.48Å; R715-E717 IonicContact CZ-OE1 3.04Å; R715-E717 VanDerWaalsContact CZ-OE1 3.26Å; R715-E717 IonicContact NE-OE1 2.63Å; R715-E717 PolarHBondContact NE-OE1 3.05Å; R715-E717 IonicContact NH2-OE1 2.64Å; R715-E717 PolarHBondContact NH2-OE1 2.83Å; R715-V735 HydrophobicContact CG-CG1 3.98Å |
| 716 | V | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.3 | 180 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | L619 V621 V660 L684 V686 V714 V735 G736 | L619-V716 HydrophobicContact CD2-CG1 4.31Å; V621-V716 HydrophobicContact CB-CG2 4.36Å; V621-V716 HydrophobicContact CG1-CG2 3.63Å; V621-V716 HydrophobicContact CG2-CB 3.86Å; V621-V716 HydrophobicContact CG2-CG2 3.73Å; V660-V716 HydrophobicContact CG1-CG2 3.84Å; L684-V716 HydrophobicContact CB-CG1 4.41Å; L684-V716 HydrophobicContact CD2-CG1 3.97Å; V686-V716 HydrophobicContact CG1-CG2 4.44Å; V686-V716 HydrophobicContact CG2-CG1 4.35Å; V686-V716 HydrophobicContact CG2-CG2 4.24Å; V714-V716 HydrophobicContact CG1-CG2 4.21Å; V716-V735 CarbonylContact O-C 3.59Å; V716-V735 WeakPolarHBondContact O-CA 3.41Å; V716-G736 PolarHBondContact N-O 2.87Å; V716-G736 PolarHBondContact O-N 2.85Å |
| 717 | E | 92.8 | Very high | 87.3 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.1 | 172.4 | -53.5 | -160.1 | 155.6 | 0 | 0 | 109.8 | L684 T685 R715 T732 V735 | L684-E717 WeakPolarHBondContact CA-O 3.27Å; T685-E717 PolarHBondContact N-O 3.37Å; T685-E717 PolarHBondContact O-N 2.84Å; R715-E717 HydrophobicContact CG-CG 4.48Å; R715-E717 IonicContact CZ-OE1 3.04Å; R715-E717 VanDerWaalsContact CZ-OE1 3.26Å; R715-E717 IonicContact NE-OE1 2.63Å; R715-E717 PolarHBondContact NE-OE1 3.05Å; R715-E717 IonicContact NH2-OE1 2.64Å; R715-E717 PolarHBondContact NH2-OE1 2.83Å; E717-T732 HydrophobicContact CB-CG2 4.1Å; E717-V735 HydrophobicContact CB-CG2 4.49Å; E717-V735 HydrophobicContact CG-CG1 4.33Å; E717-V735 HydrophobicContact CG-CG2 4.1Å |
| 718 | M | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.1 | 171.1 | -178.5 | -176.1 | -175.9 | 0 | 0 | 109.1 | W495 I616 L619 V664 L674 Y682 L684 T732 V733 A734 | W495-M718 HydrophobicContact CD2-CE 3.76Å; W495-M718 HydrophobicContact CE3-CE 3.7Å; W495-M718 HydrophobicContact CH2-CE 3.49Å; W495-M718 VanDerWaalsContact CH2-CE 3.49Å; W495-M718 HydrophobicContact CZ2-CE 3.53Å; W495-M718 HydrophobicContact CZ3-CE 3.58Å; I616-M718 HydrophobicContact CD1-SD 4.26Å; L619-M718 HydrophobicContact CD1-SD 4.43Å; L619-M718 HydrophobicContact CD2-CB 3.76Å; V664-M718 HydrophobicContact CG2-SD 4.43Å; L674-M718 HydrophobicContact CD1-CE 3.79Å; L674-M718 HydrophobicContact CD2-CE 4.5Å; L674-M718 HydrophobicContact CD2-SD 4.43Å; Y682-M718 HydrophobicContact CG-CE 4.19Å; L684-M718 HydrophobicContact CD2-CB 3.96Å; L684-M718 HydrophobicContact CD2-CG 4.2Å; M718-T732 CarbonylContact O-C 3.49Å; M718-T732 WeakPolarHBondContact O-CA 3.36Å; M718-V733 PolarHBondContact O-N 3.42Å; M718-A734 PolarHBondContact N-O 3.01Å; M718-A734 PolarHBondContact O-N 2.72Å |
| 719 | S | 90.5 | Very high | 85.1 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 158.3 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | Y682 R683 S731 | Y682-S719 CarbonylContact C-O 3.52Å; R683-S719 PolarHBondContact N-O 2.97Å; R683-S719 PolarHBondContact O-N 2.95Å; R683-S719 PolarHBondContact O-OG 3.29Å; S719-S731 WeakPolarHBondContact CA-O 3.34Å |
| 720 | I | 89.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 157.1 | 176 | 65.1 | -177.4 | 0 | 0 | 0 | 111.8 | S494 S731 V733 | S494-I720 WeakPolarHBondContact O-CG2 3.38Å; I720-S731 PolarHBondContact N-O 3.25Å; I720-V733 HydrophobicContact CG2-CG2 3.48Å; I720-V733 VanDerWaalsContact CG2-CG2 3.48Å |
| 721 | C | 84.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -55 | 144.6 | 171.9 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | R496 A680 S723 C724 Q725 | R496-C721 PolarHBondContact O-SG 2.95Å; R496-C721 VanDerWaalsContact O-SG 3.39Å; A680-C721 VanDerWaalsContact O-CB 3.29Å; A680-C721 WeakPolarHBondContact O-CB 3.49Å; C721-S723 PolarHBondContact O-N 3.24Å; C721-C724 PolarHBondContact O-N 2.63Å; C721-C724 VanDerWaalsContact O-N 3.07Å; C721-C724 VanDerWaalsContact SG-SG 3.64Å; C721-Q725 PolarHBondContact O-N 2.67Å | ||
| 722 | E | 81.7 | Confident | 83.4 | Confident | 129 Ų | 129 | 67.1 Ų | 67.1 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -59.8 | -34.4 | -175 | -65 | -173 | 162.6 | 0 | 0 | 112.5 | R683 C724 Q725 | R683-E722 IonicContact CZ-OE1 2.84Å; R683-E722 IonicContact NH1-OE1 2.63Å; R683-E722 PolarHBondContact NH1-OE1 2.97Å; R683-E722 IonicContact NH2-OE1 2.72Å; R683-E722 PolarHBondContact NH2-OE1 2.85Å; R683-E722 VanDerWaalsContact NH2-OE1 3.08Å; E722-C724 PolarHBondContact O-N 2.85Å; E722-Q725 WeakPolarHBondContact O-CB 3.47Å; E722-Q725 PolarHBondContact O-N 3.43Å; E722-Q725 VanDerWaalsContact O-N 3.12Å |
| 723 | S | 81.9 | Confident | 83.3 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.3 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | C721 | C721-S723 PolarHBondContact O-N 3.24Š|
| 724 | C | 83.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -106.6 | 3.7 | 178.1 | -65.3 | 0 | 0 | 0 | 0 | 113.9 | R496 P498 C519 C721 E722 K726 | R496-C724 HydrophobicContact CB-CB 4.03Å; P498-C724 VanDerWaalsContact N-SG 3.36Å; C519-C724 HydrophobicContact CB-CB 3.75Å; C519-C724 WeakPolarHBondContact CB-SG 3.45Å; C519-C724 WeakPolarHBondContact SG-CA 3.49Å; C519-C724 WeakPolarHBondContact SG-CB 3.45Å; C519-C724 CovalentContact SG-SG 2.03Å; C519-C724 PolarHBondContact SG-SG 2.75Å; C721-C724 PolarHBondContact O-N 2.63Å; C721-C724 VanDerWaalsContact O-N 3.07Å; C721-C724 VanDerWaalsContact SG-SG 3.64Å; E722-C724 PolarHBondContact O-N 2.85Å; C724-K726 PolarHBondContact O-N 2.58Å |
| 725 | Q | 80.7 | Confident | 83.4 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -81 | 89.9 | -176.6 | -156.1 | -172.8 | -76.3 | 0 | 0 | 111.4 | C721 E722 S727 R729 | C721-Q725 PolarHBondContact O-N 2.67Å; E722-Q725 WeakPolarHBondContact O-CB 3.47Å; E722-Q725 PolarHBondContact O-N 3.43Å; E722-Q725 VanDerWaalsContact O-N 3.12Å; Q725-S727 WeakPolarHBondContact CG-O 3.49Å; Q725-S727 PolarHBondContact NE2-O 3.27Å; Q725-S727 PolarHBondContact O-N 3.38Å; Q725-R729 PolarHBondContact NE2-O 3.35Å | ||
| 726 | K | 72.3 | Confident | 83.3 | Confident | 190 Ų | 190 | 63.1 Ų | 63.1 | 83% | 0.826 | 31% | 0.314 | S | S | * | . | trans | -58.7 | -2.3 | -178.4 | -68 | -168.6 | 175.6 | -169.7 | 0 | 116.5 | C724 | C724-K726 PolarHBondContact O-N 2.58Š| ||
| 727 | S | 68.6 | Low | 83.2 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -150.4 | 162.5 | 177.9 | 92.8 | 0 | 0 | 0 | 0 | 111.5 | Q725 R729 | Q725-S727 WeakPolarHBondContact CG-O 3.49Å; Q725-S727 PolarHBondContact NE2-O 3.27Å; Q725-S727 PolarHBondContact O-N 3.38Å; S727-R729 PolarHBondContact O-N 2.78Å; S727-R729 WeakPolarHBondContact OG-CB 3.47Å; S727-R729 PolarHBondContact OG-N 3.23Å; S727-R729 PolarHBondContact OG-O 3.47Å |
| 728 | K | 66.4 | Low | 83.1 | Confident | 216 Ų | 216 | 65.8 Ų | 65.8 | 94% | 0.939 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -65.9 | -17 | 172.8 | -67.4 | -173.3 | 178.2 | -178 | 0 | 113.7 | ||
| 729 | R | 67 | Low | 82.9 | Confident | 216 Ų | 216 | 69.2 Ų | 69.2 | 82% | 0.815 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -77.8 | 126.5 | 172.6 | -170.6 | 178.4 | -174.7 | -179.7 | 2.1 | 109.1 | Q725 S727 S731 | Q725-R729 PolarHBondContact NE2-O 3.35Å; S727-R729 PolarHBondContact O-N 2.78Å; S727-R729 WeakPolarHBondContact OG-CB 3.47Å; S727-R729 PolarHBondContact OG-N 3.23Å; S727-R729 PolarHBondContact OG-O 3.47Å; R729-S731 PolarHBondContact O-N 2.91Å |
| 730 | K | 69.5 | Low | 82.8 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | trans | -54.8 | 135.1 | 174.3 | -65.3 | -176.4 | -179.3 | -179.7 | 0 | 110.1 | ||||
| 731 | S | 81.1 | Confident | 82.8 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | trans | -101.8 | 85.9 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | S719 I720 R729 | S719-S731 WeakPolarHBondContact CA-O 3.34Å; I720-S731 PolarHBondContact N-O 3.25Å; R729-S731 PolarHBondContact O-N 2.91Å | ||
| 732 | T | 86 | Confident | 83.1 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 37% | 0.368 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 129.5 | 172.1 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | E717 M718 A734 V735 | E717-T732 HydrophobicContact CB-CG2 4.1Å; M718-T732 CarbonylContact O-C 3.49Å; M718-T732 WeakPolarHBondContact O-CA 3.36Å; T732-A734 WeakPolarHBondContact CG2-O 3.35Å; T732-V735 HydrophobicContact CG2-CG2 3.61Å |
| 733 | V | 88.8 | Confident | 83.5 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -41.7 | -179.3 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | W495 I616 M718 I720 | W495-V733 HydrophobicContact CB-CG1 4.19Å; I616-V733 HydrophobicContact CD1-CG1 3.91Å; M718-V733 PolarHBondContact O-N 3.42Å; I720-V733 HydrophobicContact CG2-CG2 3.48Å; I720-V733 VanDerWaalsContact CG2-CG2 3.48Å |
| 734 | A | 91.8 | Very high | 83.8 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I616 L619 M718 T732 | I616-A734 HydrophobicContact CB-CB 4.38Å; I616-A734 HydrophobicContact CD1-CB 4.36Å; I616-A734 HydrophobicContact CG2-CB 3.7Å; L619-A734 HydrophobicContact CB-CB 3.78Å; L619-A734 HydrophobicContact CD2-CB 4.42Å; M718-A734 PolarHBondContact N-O 3.01Å; M718-A734 PolarHBondContact O-N 2.72Å; T732-A734 WeakPolarHBondContact CG2-O 3.35Å |
| 735 | V | 93.2 | Very high | 83.5 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.5 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | R715 V716 E717 T732 | R715-V735 HydrophobicContact CG-CG1 3.98Å; V716-V735 CarbonylContact O-C 3.59Å; V716-V735 WeakPolarHBondContact O-CA 3.41Å; E717-V735 HydrophobicContact CB-CG2 4.49Å; E717-V735 HydrophobicContact CG-CG1 4.33Å; E717-V735 HydrophobicContact CG-CG2 4.1Å; T732-V735 HydrophobicContact CG2-CG2 3.61Å |
| 736 | G | 92.7 | Very high | 82.5 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L619 V716 | L619-G736 WeakPolarHBondContact O-CA 3.37Å; V716-G736 PolarHBondContact N-O 2.87Å; V716-G736 PolarHBondContact O-N 2.85Å |
| 737 | N | 92.8 | Very high | 81.2 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.8 | -177.1 | -79.9 | -16.8 | 0 | 0 | 0 | 109.3 | V712 V714 | V712-N737 HydrophobicContact CG1-CB 3.7Å; V714-N737 CarbonylContact O-C 3.55Å; V714-N737 WeakPolarHBondContact O-CA 3.38Å |
| 738 | G | 88.9 | Confident | 80 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L713 V714 | L713-G738 PolarHBondContact N-O 2.69Å; V714-G738 PolarHBondContact N-O 3.14Å; V714-G738 PolarHBondContact O-N 3.39Å |
| 739 | S | 88.6 | Confident | 78.9 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 51% | 0.51 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144.2 | 165.5 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | G711 | G711-S739 CarbonylContact O-C 3.49Å; G711-S739 VanDerWaalsContact O-CA 3.23Å; G711-S739 WeakPolarHBondContact O-CA 3.49Å |
| 740 | L | 88.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.8 | -178 | 174.9 | 62.8 | 0 | 0 | 0 | 110 | V623 L651 V694 V703 G711 L713 V742 | V623-L740 HydrophobicContact CB-CD1 4.15Å; V623-L740 HydrophobicContact CG1-CD1 3.92Å; V623-L740 HydrophobicContact CG1-CD2 4.11Å; L651-L740 HydrophobicContact CD1-CD1 4.06Å; L651-L740 HydrophobicContact CD1-CD2 3.85Å; L651-L740 HydrophobicContact CD1-CG 4.38Å; L651-L740 HydrophobicContact CG-CD1 4.24Å; V694-L740 HydrophobicContact CG2-CD2 3.81Å; V703-L740 HydrophobicContact CG1-CD2 3.89Å; G711-L740 PolarHBondContact N-O 2.98Å; G711-L740 VanDerWaalsContact N-O 3.14Å; G711-L740 PolarHBondContact O-N 3.06Å; L713-L740 HydrophobicContact CD1-CB 4.21Å; L713-L740 HydrophobicContact CD1-CG 4.45Å; L740-V742 HydrophobicContact CD2-CG2 4.37Å; L740-V742 HydrophobicContact CG-CG2 4.28Å |
| 741 | K | 90.4 | Very high | 76.4 | Confident | 73 Ų | 73 | 76 Ų | 76 | 32% | 0.317 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.3 | 174.3 | -170 | -174.2 | -171.1 | 89.3 | 0 | 109.4 | V650 L651 E710 | V650-K741 VanDerWaalsContact CA-O 3.29Å; V650-K741 WeakPolarHBondContact CA-O 3.17Å; V650-K741 HydrophobicContact CG2-CB 4.42Å; V650-K741 HydrophobicContact CG2-CD 4.16Å; L651-K741 PolarHBondContact N-O 2.85Å; E710-K741 HydrophobicContact CB-CG 4.18Å; E710-K741 HydrophobicContact CG-CB 4.27Å; E710-K741 HydrophobicContact CG-CG 4.02Å; E710-K741 WeakPolarHBondContact OE1-CD 3.35Å; E710-K741 IonicContact OE1-NZ 2.66Å; E710-K741 PolarHBondContact OE1-NZ 2.88Å; E710-K741 IonicContact OE2-NZ 2.65Å; E710-K741 PolarHBondContact OE2-NZ 2.87Å |
| 742 | V | 91.1 | Very high | 74.3 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.7 | 173.4 | -168 | 0 | 0 | 0 | 0 | 108.2 | L651 V693 V694 A705 G707 E708 G709 L713 L740 F744 | L651-V742 HydrophobicContact CB-CB 4.46Å; L651-V742 HydrophobicContact CB-CG1 4.03Å; L651-V742 HydrophobicContact CB-CG2 4.22Å; L651-V742 HydrophobicContact CD1-CG2 4.22Å; V693-V742 HydrophobicContact CG1-CB 4.11Å; V693-V742 HydrophobicContact CG1-CG2 3.87Å; V694-V742 HydrophobicContact CG2-CG2 3.99Å; A705-V742 HydrophobicContact CB-CG1 3.67Å; A705-V742 HydrophobicContact CB-CG2 4.48Å; G707-V742 WeakPolarHBondContact O-CB 3.45Å; G707-V742 WeakPolarHBondContact O-CG1 3.35Å; E708-V742 WeakPolarHBondContact CA-O 3.31Å; G709-V742 PolarHBondContact N-O 3.21Å; G709-V742 PolarHBondContact O-N 2.8Å; L713-V742 HydrophobicContact CD1-CG2 4.5Å; L740-V742 HydrophobicContact CD2-CG2 4.37Å; L740-V742 HydrophobicContact CG-CG2 4.28Å; V742-F744 HydrophobicContact CG1-CD1 4.24Å; V742-F744 HydrophobicContact CG1-CE1 3.51Å; V742-F744 HydrophobicContact CG1-CZ 3.82Å |
| 743 | K | 90.5 | Very high | 71.8 | Confident | 132 Ų | 132 | 78.4 Ų | 78.4 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | trans | -147 | 110.2 | 176.7 | -178.4 | 178.6 | -179.8 | 176.7 | 0 | 108.7 | L651 Q652 | L651-K743 CarbonylContact O-C 3.49Å; L651-K743 PolarHBondContact O-N 3.36Å; Q652-K743 WeakPolarHBondContact CA-O 3.38Å | ||
| 744 | F | 88.6 | Confident | 69.4 | Low | 43 Ų | 43 | 81.8 Ų | 81.8 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | trans | -73 | 145.7 | -178.7 | -54.2 | -42.8 | 0 | 0 | 0 | 110.6 | Q652 S653 P654 A705 E708 V742 A746 | Q652-F744 WeakPolarHBondContact O-CA 3.28Å; S653-F744 VanDerWaalsContact C-CD1 3.48Å; S653-F744 VanDerWaalsContact C-CE1 3.45Å; S653-F744 WeakPolarHBondContact O-CE1 3.46Å; P654-F744 HydrophobicContact CB-CE1 4.14Å; P654-F744 HydrophobicContact CB-CE2 4.37Å; P654-F744 HydrophobicContact CB-CZ 4.02Å; A705-F744 HydrophobicContact CB-CE1 4.03Å; A705-F744 HydrophobicContact CB-CZ 4.37Å; E708-F744 HydrophobicContact CG-CD2 3.56Å; E708-F744 HydrophobicContact CG-CE2 3.93Å; E708-F744 HydrophobicContact CG-CG 4.13Å; E708-F744 PolarHBondContact OE1-N 3.47Å; V742-F744 HydrophobicContact CG1-CD1 4.24Å; V742-F744 HydrophobicContact CG1-CE1 3.51Å; V742-F744 HydrophobicContact CG1-CZ 3.82Å; F744-A746 VanDerWaalsContact C-N 3.35Å; F744-A746 PolarHBondContact O-N 3.1Å | ||
| 745 | Q | 76.3 | Confident | 66.6 | Low | 146 Ų | 146 | 88.1 Ų | 88.1 | 68% | 0.682 | 52% | 0.517 | S | S | * | . | trans | -71 | 92.8 | 173.6 | -68.3 | -161.8 | 19.9 | 0 | 0 | 110.2 | Q652 N747 | Q652-Q745 HydrophobicContact CB-CG 4.47Å; Q652-Q745 PolarHBondContact O-N 3.3Å; Q652-Q745 VanDerWaalsContact O-N 3.15Å; Q745-N747 PolarHBondContact O-N 2.8Å | ||
| 746 | A | 59 | Low | 63.8 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | trans | -56.5 | 107.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F744 T748 | F744-A746 VanDerWaalsContact C-N 3.35Å; F744-A746 PolarHBondContact O-N 3.1Å; A746-T748 PolarHBondContact O-N 2.92Å | ||
| 747 | N | 46.4 | Very low | 61 | Low | 161 Ų | 161 | 102.2 Ų | 102.2 | 86% | 0.861 | 58% | 0.581 | S | S | * | * | trans | -70.2 | 94.9 | -167.9 | -159.7 | -6.3 | 0 | 0 | 0 | 110.2 | Q745 R749 | Q745-N747 PolarHBondContact O-N 2.8Å; N747-R749 VanDerWaalsContact C-N 3.34Å; N747-R749 PolarHBondContact O-N 2.96Å | ||
| 748 | T | 42.5 | Very low | 58.2 | Low | 109 Ų | 109 | 103.7 Ų | 103.7 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | trans | -77.4 | 83.5 | -167.6 | 23.9 | 0 | 0 | 0 | 0 | 111.5 | A746 | A746-T748 PolarHBondContact O-N 2.92Š| ||
| 749 | R | 43.8 | Very low | 55.4 | Low | 196 Ų | 196 | 110.8 Ų | 110.8 | 74% | 0.74 | 63% | 0.631 | S | S | * | * | trans | -50.3 | 149 | 153.4 | -80.6 | -178.5 | 153.6 | 175.1 | -9 | 109.9 | N747 P751 | N747-R749 VanDerWaalsContact C-N 3.34Å; N747-R749 PolarHBondContact O-N 2.96Å; R749-P751 WeakPolarHBondContact O-CD 3.4Å | ||
| 750 | R | 41.9 | Very low | 52.6 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 51% | 0.506 | 65% | 0.647 | S | S | . | * | trans | -49.7 | 118.7 | -174.3 | -67.3 | 165 | 164.7 | 118.7 | -7.7 | 111 | G752 K801 E802 E803 | R750-G752 VanDerWaalsContact C-N 3.3Å; R750-G752 PolarHBondContact O-N 3.17Å; R750-K801 HydrophobicContact CG-CD 3.72Å; R750-K801 VanDerWaalsContact NH2-CB 3.26Å; R750-E802 PolarHBondContact NH1-O 3.28Å; R750-E803 IonicContact NH1-OE2 2.68Å | ||
| 751 | P | 42.7 | Very low | 50 | Low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | trans | -78.2 | 85.2 | 162.2 | 31.4 | -30.3 | 0 | 0 | 0 | 108.5 | R749 | R749-P751 WeakPolarHBondContact O-CD 3.4Š| ||
| 752 | G | 37 | Very low | 47.1 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | -104.7 | 140.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | R750 | R750-G752 VanDerWaalsContact C-N 3.3Å; R750-G752 PolarHBondContact O-N 3.17Å | ||
| 753 | G | 33.5 | Very low | 44.4 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 88.1 | 111.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 754 | A | 37.8 | Very low | 41.6 | Very low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -105.3 | 128.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 755 | T | 33.2 | Very low | 38.8 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -125.4 | 100.9 | 166.5 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 756 | R | 35 | Very low | 36.9 | Very low | 241 Ų | 241 | 134.7 Ų | 134.7 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -89.7 | 114.4 | 170.3 | -81.6 | 178.3 | 164.1 | 173.9 | -6.1 | 109.2 | ||||
| 757 | S | 32.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -95.7 | 144 | 151 | 50.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 758 | V | 34.2 | Very low | 35 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -119.1 | 129.2 | -172.3 | 175 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 759 | D | 30.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -152.9 | 150.2 | 157.1 | -96.2 | -42.2 | 0 | 0 | 0 | 107.8 | ||||
| 760 | R | 30.5 | Very low | 34.3 | Very low | 228 Ų | 228 | 131.2 Ų | 131.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | -171.3 | 106.4 | -25.9 | 179.7 | 172.9 | 176.9 | -151.4 | -0 | 109.4 | ||||
| 761 | S | 32 | Very low | 34 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -150.3 | 79.3 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 762 | S | 31.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 27.6 | 141.8 | 139 | 66 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 763 | V | 33.9 | Very low | 33.9 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 79.8 | 127.5 | 158.9 | -163.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 764 | G | 31.3 | Very low | 33.9 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 173.3 | 1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 765 | N | 30.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 132.3 | 169 | -113.9 | 2.6 | 0 | 0 | 0 | 120.5 | ||||
| 766 | K | 34.9 | Very low | 34 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 76.6 | 114.6 | 142.3 | -68.2 | -163.6 | 161.3 | -134.9 | 0 | 124.5 | ||||
| 767 | D | 32 | Very low | 33.9 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 59.4 | 119 | 120.4 | -42.1 | -19.4 | 0 | 0 | 0 | 119.2 | |||||
| 768 | G | 34 | Very low | 33.9 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -175 | -3.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 769 | N | 33.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 57 | 106.1 | 153.2 | -163.8 | 93.7 | 0 | 0 | 0 | 121.2 | ||||
| 770 | N | 37.3 | Very low | 33.6 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | trans | 70.7 | 154.5 | 139.7 | -62.2 | 41 | 0 | 0 | 0 | 120.1 | ||||
| 771 | D | 37.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 58% | 0.578 | 76% | 0.757 | S | S | * | * | cis | -158.4 | 179.2 | -16.1 | -122.3 | -33 | 0 | 0 | 0 | 112 | ||||
| 772 | Y | 39.2 | Very low | 33.5 | Very low | 218 Ų | 218 | 131.1 Ų | 131.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | 5.4 | 143.5 | 163.2 | -55.9 | -74.3 | 0 | 0 | 0 | 121 | ||||
| 773 | G | 36.8 | Very low | 33.4 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 140.1 | 176.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 774 | N | 35.2 | Very low | 33.1 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 76.5 | 79.2 | 162.2 | -158.1 | 106.7 | 0 | 0 | 0 | 120.4 | ||||
| 775 | D | 38 | Very low | 32.9 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 42.1 | 149.5 | 102.3 | -44.7 | -30.2 | 0 | 0 | 0 | 123.1 | |||||
| 776 | G | 35.2 | Very low | 32.8 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 114.8 | 114.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 777 | E | 33.1 | Very low | 32.3 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | 62.2 | 133.5 | 64.1 | -67.5 | -171.7 | 144.5 | 0 | 0 | 113.7 | |||||
| 778 | E | 30.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -157.1 | -179.7 | 3.6 | -139.4 | -166 | 153.2 | 0 | 0 | 112.4 | ||||
| 779 | T | 30.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 48.7 | 99.5 | 156.7 | 58 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 780 | D | 29 | Very low | 32 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 29.6 | 154.2 | 115.3 | -140.2 | -12.7 | 0 | 0 | 0 | 124.5 | |||||
| 781 | V | 31.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 154 Ų | 154 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 73.6 | 133.9 | 167.4 | -167.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 782 | E | 28.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 159.3 Ų | 159.3 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -144 | -132.1 | 28.6 | -146.2 | -154.2 | 147.1 | 0 | 0 | 116.4 | ||||
| 783 | R | 29.1 | Very low | 30.1 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -104.1 | 146.4 | -150.2 | -82.5 | 175.6 | 178.9 | 126.9 | -11.8 | 118.4 | ||||
| 784 | K | 28.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 74.4 | 132.6 | 136.9 | -84.3 | -177.3 | 174.7 | 179.2 | 0 | 122.6 | ||||
| 785 | Q | 27 | Very low | 29.3 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 86.9 | 90.5 | 133.8 | -164 | -178.4 | 30.5 | 0 | 0 | 120.7 | ||||
| 786 | R | 27.2 | Very low | 28.8 | Very low | 242 Ų | 242 | 156.1 Ų | 156.1 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | -174.1 | 156.5 | 118.7 | -100.4 | 161.6 | -172.8 | -161.8 | 1.2 | 113 | |||||
| 787 | R | 24.4 | Very low | 28.6 | Very low | 239 Ų | 239 | 158.7 Ų | 158.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -95.4 | -177.7 | 163.7 | -60.1 | 179.9 | 168 | 178.6 | -4.3 | 108.5 | ||||
| 788 | P | 40 | Very low | 28.3 | Very low | 119 Ų | 119 | 157 Ų | 157 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -138.6 | 144.9 | -3.3 | 36.7 | -17.2 | 0 | 0 | 0 | 117.2 | ||||
| 789 | S | 26.2 | Very low | 28.1 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -174.4 | 171.5 | 144.6 | 52.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 790 | Q | 26.9 | Very low | 27.9 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | cis | -178 | 145 | -46.7 | -160.6 | 178.1 | 21.8 | 0 | 0 | 103.7 | ||||
| 791 | F | 24.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 78 | 129.3 | 172.5 | -64.6 | -71.5 | 0 | 0 | 0 | 122 | ||||
| 792 | R | 25.2 | Very low | 28.4 | Very low | 218 Ų | 218 | 153.8 Ų | 153.8 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | 59.9 | 110.4 | 144.1 | -64.3 | 177.4 | -172.6 | -163.1 | 2.3 | 120.5 | ||||
| 793 | P | 24.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -90.7 | 128.5 | 141.4 | 33.6 | -26.6 | 0 | 0 | 0 | 110.7 | ||||
| 794 | S | 25.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -124.3 | 118.3 | 167.8 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 795 | S | 29.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 37.9 | 106.5 | 155.2 | 59 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 796 | I | 27.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -129.1 | 136.8 | 156.8 | -64.6 | -177.6 | 0 | 0 | 0 | 108.5 | ||||
| 797 | P | 30.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -89.1 | -176.9 | -176 | 36.3 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 798 | N | 26.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -60 | 165.8 | -166.9 | -70.6 | -23.7 | 0 | 0 | 0 | 119.1 | ||||
| 799 | S | 26.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 85.2 | 143 | 153.8 | 77.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 800 | N | 27.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 57% | 0.572 | 72% | 0.719 | S | S | * | * | cis | -160.8 | 146.9 | 46.9 | -108.6 | -75.7 | 0 | 0 | 0 | 116.1 | ||||
| 801 | K | 28.6 | Very low | 29.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 45% | 0.452 | 72% | 0.721 | S | S | . | * | trans | 68.4 | 134.3 | 139.7 | -81.3 | 175.1 | 170.8 | 69.9 | 0 | 122.7 | R750 | R750-K801 HydrophobicContact CG-CD 3.72Å; R750-K801 VanDerWaalsContact NH2-CB 3.26Å | ||
| 802 | E | 40.9 | Very low | 29.4 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -60.4 | 174.7 | 159.4 | -50.1 | 140.7 | 104.5 | 0 | 0 | 113.8 | R750 | R750-E802 PolarHBondContact NH1-O 3.28Š| ||
| 803 | E | 31.1 | Very low | 29.5 | Very low | 134 Ų | 134 | 128 Ų | 128 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | 174 | 155.4 | 130.2 | -92.7 | -155.3 | 87.4 | 0 | 0 | 108.4 | R750 | R750-E803 IonicContact NH1-OE2 2.68Š| ||
| 804 | S | 31 | Very low | 29.5 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | cis | -168.9 | -177.1 | -8.9 | -112.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 805 | A | 27.3 | Very low | 29.5 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 98.6 | 143.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 806 | I | 30.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -162.9 | 137 | -10.2 | -118.7 | 170 | 0 | 0 | 0 | 112.4 | ||||
| 807 | Q | 27.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | 58.5 | 162.6 | 150.5 | -63.8 | 173.8 | 29.4 | 0 | 0 | 120.1 | ||||
| 808 | K | 25.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | cis | -159.1 | 131.6 | -11.4 | -106.9 | 158.9 | -177 | 162.1 | 0 | 106 | ||||
| 809 | I | 28.9 | Very low | 28.9 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | 65.7 | 134.1 | 82.7 | -68.2 | 172.9 | 0 | 0 | 0 | 114.2 | |||||
| 810 | P | 44.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | cis | -145.1 | 172.9 | -21.6 | 38.5 | -18 | 0 | 0 | 0 | 117.6 | ||||
| 811 | T | 28.5 | Very low | 28.5 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | 163.6 | 132 | 118.5 | 41.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 812 | T | 28.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | 22.7 | 150.3 | 145.9 | 60.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 813 | I | 27.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | -150.2 | 167.7 | 50.9 | -74.6 | 176.5 | 0 | 0 | 0 | 113.2 | |||||
| 814 | R | 24.9 | Very low | 27.4 | Very low | 229 Ų | 229 | 132.7 Ų | 132.7 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 154.1 | -177.5 | -54.8 | 166.1 | 170.4 | 158.8 | -6.7 | 117.3 | ||||
| 815 | S | 23.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | -165.5 | 112.9 | 122.4 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 816 | T | 24.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 65.7 | 114.9 | 79.4 | -46.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 817 | V | 30.5 | Very low | 27.1 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -127.1 | 136.9 | 171.3 | 173.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 818 | K | 25.1 | Very low | 27 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | 164.5 | 150.4 | 169.2 | -97.1 | -173.3 | -175.8 | 178.7 | 0 | 108.2 | ||||
| 819 | T | 21.9 | Very low | 27 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.613 | 79% | 0.792 | S | S | * | * | cis | -166.8 | 161.9 | -27.1 | -28.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 820 | M | 22 | Very low | 26.9 | Very low | 162 Ų | 162 | 135 Ų | 135 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 65.8 | 161.7 | 164.8 | -55.5 | -57.8 | 178.2 | 0 | 0 | 115 | ||||
| 821 | T | 23.1 | Very low | 26 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | -150.6 | 158 | -8.9 | -3.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 822 | S | 30 | Very low | 25.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -92.5 | 141.7 | 160.8 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 823 | G | 24.7 | Very low | 25.5 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 177.2 | 118.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 824 | S | 24.6 | Very low | 25.4 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 71.8 | 106.6 | 153.5 | -160.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 825 | L | 28.7 | Very low | 25.4 | Very low | 175 Ų | 175 | 129 Ų | 129 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | 24.1 | 122.2 | 124.9 | -70.3 | 151.1 | 0 | 0 | 0 | 119.8 | |||||
| 826 | G | 25.4 | Very low | 25.5 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -175.3 | 122.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 827 | G | 26.9 | Very low | 25.5 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -117.8 | -154.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 828 | V | 26.9 | Very low | 25.5 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 87.5 | 106.4 | 177.2 | -172.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 829 | D | 25 | Very low | 26.1 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 38.8 | 124.1 | 143.2 | -50 | -17 | 0 | 0 | 0 | 122 | ||||
| 830 | K | 27.3 | Very low | 26.5 | Very low | 210 Ų | 210 | 127 Ų | 127 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | -159.7 | 138.2 | 102.2 | -105.4 | 154.4 | -172.1 | 169.1 | 0 | 114.9 | |||||
| 831 | T | 24.5 | Very low | 26.9 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 153.9 | 171.4 | -17.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 832 | F | 24 | Very low | 27 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 166.5 | 130.4 | 117.2 | -100.6 | -83 | 0 | 0 | 0 | 112.9 | |||||
| 833 | T | 23.7 | Very low | 27.2 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 27.9 | 149.5 | 140.8 | 55.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 834 | S | 26 | Very low | 27.2 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -176.8 | 163.5 | -9.9 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 835 | T | 23.9 | Very low | 27.1 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 59.9 | 112.8 | 143.3 | 49.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 836 | V | 26.9 | Very low | 27 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 51.5 | 119 | 117.7 | -172.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 837 | K | 24 | Very low | 27 | Very low | 201 Ų | 201 | 135.3 Ų | 135.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | -173.6 | 140 | 114.4 | -102.1 | 179 | -173.3 | 176.5 | 0 | 114.6 | |||||
| 838 | A | 31.5 | Very low | 27.1 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -114.9 | 163.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 839 | P | 37.9 | Very low | 27.4 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | -143.6 | -179.2 | 96.8 | 32 | -12.4 | 0 | 0 | 0 | 112.9 | |||||
| 840 | G | 28.7 | Very low | 27.5 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | cis | 124.3 | 156.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 841 | N | 31.5 | Very low | 27.4 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | cis | -173.2 | 135 | -6.1 | 172.1 | 49.2 | 0 | 0 | 0 | 111.2 | ||||
| 842 | L | 24.7 | Very low | 27.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -157.3 | 130.5 | 165.5 | -98.8 | 123.9 | 0 | 0 | 0 | 110.2 | ||||
| 843 | V | 33.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | cis | 87.1 | 122.6 | 30.3 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 844 | N | 25.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 140 Ų | 140 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | cis | -159.8 | 164.1 | 1.3 | -172.3 | 25.6 | 0 | 0 | 0 | 111.3 | ||||
| 845 | Y | 22.5 | Very low | 27.5 | Very low | 217 Ų | 217 | 141 Ų | 141 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | 178.3 | 143.4 | 128.8 | -110.3 | -75.5 | 0 | 0 | 0 | 113 | |||||
| 846 | N | 26.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | -133.8 | 151.4 | 174.3 | -90.7 | -7.4 | 0 | 0 | 0 | 110 | ||||
| 847 | D | 25.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | 178.6 | 164.7 | 111.9 | -97.4 | -21.5 | 0 | 0 | 0 | 113.9 | |||||
| 848 | F | 28.1 | Very low | 27.6 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -106.8 | 174 | -173.1 | -75.2 | -93.8 | 0 | 0 | 0 | 113.4 | ||||
| 849 | P | 35.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -139.1 | 168.9 | 102.3 | 35.7 | -22.2 | 0 | 0 | 0 | 116.6 | |||||
| 850 | T | 26.1 | Very low | 26.9 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -57.6 | 164.2 | 176 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 851 | K | 25 | Very low | 26.8 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | cis | -161.5 | 177.5 | 22.3 | -139.6 | 164.7 | -178.2 | 177.3 | 0 | 106.8 | ||||
| 852 | V | 26 | Very low | 26.7 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -143.2 | -175.1 | 19.2 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 853 | E | 23 | Very low | 26.9 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 165.5 | 172.3 | -66.8 | 145.7 | 123.8 | 0 | 0 | 113.5 | ||||
| 854 | I | 25.8 | Very low | 26.8 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | cis | -143 | 132.3 | 32 | -56.7 | 160.6 | 0 | 0 | 0 | 112.4 | ||||
| 855 | P | 25.7 | Very low | 27.1 | Very low | 111 Ų | 111 | 155.1 Ų | 155.1 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101 | 138.7 | 167.8 | 35.6 | -29.2 | 0 | 0 | 0 | 113.3 | ||
| 856 | R | 22.8 | Very low | 27.7 | Very low | 244 Ų | 244 | 153.3 Ų | 153.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 131.7 | 161.6 | -85.5 | -175.7 | 171.8 | 174.3 | -2 | 110 | ||
| 857 | P | 28.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 157 Ų | 157 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83 | 166.3 | -175.9 | 33.8 | -36.3 | 0 | 0 | 0 | 113.8 | ||
| 858 | K | 24.4 | Very low | 28.6 | Very low | 200 Ų | 200 | 154 Ų | 154 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 155.5 | 171 | -62 | 174.4 | 178.6 | 177.5 | 0 | 111.2 | ||
| 859 | M | 26 | Very low | 29.1 | Very low | 185 Ų | 185 | 153 Ų | 153 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.3 | 158.6 | -64.3 | 175.7 | 177 | 0 | 0 | 110.7 | ||
| 860 | P | 28.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -115.8 | 173.7 | 135.2 | 36.5 | -30.9 | 0 | 0 | 0 | 111.3 | ||||
| 861 | E | 26.6 | Very low | 30.6 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 162.3 | -177.2 | -64.3 | 120.7 | 124.8 | 0 | 0 | 114.6 | ||||
| 862 | V | 29.6 | Very low | 32.2 | Very low | 141 Ų | 141 | 153.2 Ų | 153.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -122.7 | 117.1 | 170 | 173.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 863 | E | 29.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -70.8 | 154.9 | 168.9 | -71.1 | -175.6 | 105.2 | 0 | 0 | 111.3 | G865 | E863-G865 PolarHBondContact O-N 2.87Š| ||
| 864 | S | 31.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 117.6 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 865 | G | 31.3 | Very low | 38.2 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -135.5 | 100.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E863 | E863-G865 PolarHBondContact O-N 2.87Š| ||
| 866 | E | 34.6 | Very low | 40.4 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -84.2 | 172 | 167.4 | -68.1 | -172 | 108 | 0 | 0 | 111 | ||||
| 867 | E | 36.7 | Very low | 43 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | 67.3 | 55.3 | 170.6 | -53.4 | -159.4 | 148 | 0 | 0 | 118 | ||||
| 868 | A | 34.5 | Very low | 45.6 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -140.9 | 131.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 869 | L | 38.9 | Very low | 48.3 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | 59.8 | 78.5 | 163.3 | -59.4 | 175 | 0 | 0 | 0 | 117.8 | ||||
| 870 | A | 42.1 | Very low | 51 | Low | 84 Ų | 84 | 125.7 Ų | 125.7 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | trans | -53.3 | 163.1 | 132.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 871 | N | 51.3 | Low | 53.9 | Low | 163 Ų | 163 | 126.3 Ų | 126.3 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | trans | 85.2 | 33.1 | -172.2 | -46.8 | -36.4 | 0 | 0 | 0 | 116.4 | ||||
| 872 | R | 57.7 | Low | 56.8 | Low | 197 Ų | 197 | 124 Ų | 124 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.3 | 151.6 | -179 | 175.6 | 178.5 | 165.8 | -1.1 | 108.5 | L874 | R872-L874 PolarHBondContact O-N 2.91Š|
| 873 | P | 60.1 | Low | 59.6 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 127 | 169.6 | 27.2 | -32.4 | 0 | 0 | 0 | 109.2 | ||
| 874 | L | 65.7 | Low | 62.3 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 144.4 | 176.7 | -67 | 167.8 | 0 | 0 | 0 | 109.9 | R872 E878 I879 Y882 | R872-L874 PolarHBondContact O-N 2.91Å; L874-E878 HydrophobicContact CD2-CG 4Å; L874-I879 HydrophobicContact CB-CD1 4.06Å; L874-I879 HydrophobicContact CB-CG1 3.63Å; L874-I879 HydrophobicContact CD1-CG1 4.3Å; L874-Y882 HydrophobicContact CD2-CE2 4.26Å |
| 875 | T | 76.6 | Confident | 65.2 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 42% | 0.417 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 150.7 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | L877 E878 I879 | T875-L877 PolarHBondContact O-N 2.78Å; T875-L877 VanDerWaalsContact O-N 3.12Å; T875-E878 PolarHBondContact N-OE2 3.42Å; T875-E878 WeakPolarHBondContact O-CA 3.49Å; T875-E878 WeakPolarHBondContact O-CB 3.35Å; T875-E878 PolarHBondContact O-N 3.07Å; T875-E878 VanDerWaalsContact OG1-CB 3.22Å; T875-E878 WeakPolarHBondContact OG1-CB 3.37Å; T875-E878 PolarHBondContact OG1-OE2 3.2Å; T875-E878 VanDerWaalsContact OG1-OE2 3.11Å; T875-I879 WeakPolarHBondContact O-CG1 3.33Å; T875-I879 PolarHBondContact O-N 3.46Å |
| 876 | D | 70.9 | Confident | 68 | Low | 146 Ų | 146 | 114.2 Ų | 114.2 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -57.1 | -33.2 | -176.8 | -60.7 | -40.4 | 0 | 0 | 0 | 113.1 | G880 | D876-G880 PolarHBondContact O-N 3.08Å |
| 877 | L | 77.7 | Confident | 70.8 | Confident | 144 Ų | 144 | 110.4 Ų | 110.4 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -41.6 | 173.8 | -173.7 | 76 | 0 | 0 | 0 | 112.4 | T875 G880 M881 | T875-L877 PolarHBondContact O-N 2.78Å; T875-L877 VanDerWaalsContact O-N 3.12Å; L877-G880 CarbonylContact O-C 3.59Å; L877-G880 WeakPolarHBondContact O-CA 3.19Å; L877-G880 PolarHBondContact O-N 2.77Å; L877-M881 WeakPolarHBondContact O-CG 3.44Å; L877-M881 PolarHBondContact O-N 2.88Å |
| 878 | E | 83.3 | Confident | 73.4 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 24% | 0.243 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -75.6 | -40.8 | -176.1 | -175.4 | 177.1 | -154.1 | 0 | 0 | 110.8 | L874 T875 G880 M881 Y882 | L874-E878 HydrophobicContact CD2-CG 4Å; T875-E878 PolarHBondContact N-OE2 3.42Å; T875-E878 WeakPolarHBondContact O-CA 3.49Å; T875-E878 WeakPolarHBondContact O-CB 3.35Å; T875-E878 PolarHBondContact O-N 3.07Å; T875-E878 VanDerWaalsContact OG1-CB 3.22Å; T875-E878 WeakPolarHBondContact OG1-CB 3.37Å; T875-E878 PolarHBondContact OG1-OE2 3.2Å; T875-E878 VanDerWaalsContact OG1-OE2 3.11Å; E878-G880 VanDerWaalsContact C-N 3.28Å; E878-G880 PolarHBondContact O-N 2.79Å; E878-M881 PolarHBondContact O-N 3.12Å; E878-Y882 HydrophobicContact CG-CD2 4.34Å; E878-Y882 HydrophobicContact CG-CE2 3.85Å; E878-Y882 WeakPolarHBondContact O-CD2 3.08Å; E878-Y882 PolarHBondContact O-N 3.22Å |
| 879 | I | 80.6 | Confident | 76.1 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.6 | -44 | 165.8 | -61 | 171.8 | 0 | 0 | 0 | 109.9 | L874 T875 M881 Y882 A883 | L874-I879 HydrophobicContact CB-CD1 4.06Å; L874-I879 HydrophobicContact CB-CG1 3.63Å; L874-I879 HydrophobicContact CD1-CG1 4.3Å; T875-I879 WeakPolarHBondContact O-CG1 3.33Å; T875-I879 PolarHBondContact O-N 3.46Å; I879-M881 PolarHBondContact O-N 2.94Å; I879-Y882 PolarHBondContact O-N 3.26Å; I879-A883 WeakPolarHBondContact O-CB 3.39Å; I879-A883 PolarHBondContact O-N 3.07Å |
| 880 | G | 83.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 103.7 Ų | 103.7 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.4 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D876 L877 E878 A883 L884 | D876-G880 PolarHBondContact O-N 3.08Å; L877-G880 CarbonylContact O-C 3.59Å; L877-G880 WeakPolarHBondContact O-CA 3.19Å; L877-G880 PolarHBondContact O-N 2.77Å; E878-G880 VanDerWaalsContact C-N 3.28Å; E878-G880 PolarHBondContact O-N 2.79Å; G880-A883 PolarHBondContact O-N 3.44Å; G880-L884 WeakPolarHBondContact O-CB 3.34Å; G880-L884 PolarHBondContact O-N 2.9Å |
| 881 | M | 90 | Very high | 81 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 61% | 0.611 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -45.1 | 175.4 | -68.8 | -153.8 | -52.9 | 0 | 0 | 112.5 | L877 E878 I879 A883 L884 L885 | L877-M881 WeakPolarHBondContact O-CG 3.44Å; L877-M881 PolarHBondContact O-N 2.88Å; E878-M881 PolarHBondContact O-N 3.12Å; I879-M881 PolarHBondContact O-N 2.94Å; M881-A883 VanDerWaalsContact C-N 3.33Å; M881-A883 PolarHBondContact O-N 3.08Å; M881-L884 PolarHBondContact O-N 2.92Å; M881-L885 WeakPolarHBondContact O-CB 3.38Å; M881-L885 PolarHBondContact O-N 2.92Å |
| 882 | Y | 87.3 | Confident | 82.9 | Confident | 139 Ų | 139 | 98.9 Ų | 98.9 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 179 | -71.8 | -55.5 | 0 | 0 | 0 | 112.4 | L874 E878 I879 G886 | L874-Y882 HydrophobicContact CD2-CE2 4.26Å; E878-Y882 HydrophobicContact CG-CD2 4.34Å; E878-Y882 HydrophobicContact CG-CE2 3.85Å; E878-Y882 WeakPolarHBondContact O-CD2 3.08Å; E878-Y882 PolarHBondContact O-N 3.22Å; I879-Y882 PolarHBondContact O-N 3.26Å; Y882-G886 PolarHBondContact O-N 3.16Å |
| 883 | A | 87.3 | Confident | 84.6 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I879 G880 M881 G886 V887 | I879-A883 WeakPolarHBondContact O-CB 3.39Å; I879-A883 PolarHBondContact O-N 3.07Å; G880-A883 PolarHBondContact O-N 3.44Å; M881-A883 VanDerWaalsContact C-N 3.33Å; M881-A883 PolarHBondContact O-N 3.08Å; A883-G886 PolarHBondContact O-N 2.89Å; A883-V887 WeakPolarHBondContact O-CG2 3.29Å; A883-V887 PolarHBondContact O-N 2.78Å |
| 884 | L | 88.3 | Confident | 86.1 | Confident | 119 Ų | 119 | 93.8 Ų | 93.8 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 177.3 | -120.3 | 167.4 | 0 | 0 | 0 | 112 | G880 M881 V887 F888 | G880-L884 WeakPolarHBondContact O-CB 3.34Å; G880-L884 PolarHBondContact O-N 2.9Å; M881-L884 PolarHBondContact O-N 2.92Å; L884-V887 PolarHBondContact O-N 2.94Å; L884-F888 PolarHBondContact O-N 2.98Å |
| 885 | L | 91.1 | Very high | 87.2 | Confident | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -45 | 175.6 | -167.6 | 77.6 | 0 | 0 | 0 | 111.2 | M881 V887 F888 C889 | M881-L885 WeakPolarHBondContact O-CB 3.38Å; M881-L885 PolarHBondContact O-N 2.92Å; L885-V887 PolarHBondContact O-N 2.76Å; L885-F888 PolarHBondContact O-N 2.87Å; L885-C889 PolarHBondContact O-N 2.89Å; L885-C889 PolarHBondContact O-SG 3.15Å; L885-C889 VanDerWaalsContact O-SG 3.4Å |
| 886 | G | 90.5 | Very high | 87.9 | Confident | 34 Ų | 34 | 97 Ų | 97 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y882 A883 C889 L890 | Y882-G886 PolarHBondContact O-N 3.16Å; A883-G886 PolarHBondContact O-N 2.89Å; G886-C889 PolarHBondContact O-N 2.79Å; G886-L890 WeakPolarHBondContact O-CG 3.09Å; G886-L890 PolarHBondContact O-N 3.41Å |
| 887 | V | 93.1 | Very high | 88.8 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | A883 L884 L885 L890 A891 | A883-V887 WeakPolarHBondContact O-CG2 3.29Å; A883-V887 PolarHBondContact O-N 2.78Å; L884-V887 PolarHBondContact O-N 2.94Å; L885-V887 PolarHBondContact O-N 2.76Å; V887-L890 PolarHBondContact O-N 2.86Å; V887-A891 PolarHBondContact O-N 2.72Å |
| 888 | F | 91.6 | Very high | 89.1 | Confident | 139 Ų | 139 | 92.8 Ų | 92.8 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 177.7 | -130 | -87.3 | 0 | 0 | 0 | 112.3 | L884 L885 A891 I892 | L884-F888 PolarHBondContact O-N 2.98Å; L885-F888 PolarHBondContact O-N 2.87Å; F888-A891 PolarHBondContact O-N 3.06Å; F888-I892 HydrophobicContact CD1-CD1 4.08Å; F888-I892 WeakPolarHBondContact O-CG1 3.44Å; F888-I892 PolarHBondContact O-N 2.67Å |
| 889 | C | 90.6 | Very high | 89.1 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.5 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | L885 G886 I892 L893 | L885-C889 PolarHBondContact O-N 2.89Å; L885-C889 PolarHBondContact O-SG 3.15Å; L885-C889 VanDerWaalsContact O-SG 3.4Å; G886-C889 PolarHBondContact O-N 2.79Å; C889-I892 PolarHBondContact O-N 2.97Å; C889-L893 WeakPolarHBondContact O-CG 3.4Å; C889-L893 PolarHBondContact O-N 2.88Å |
| 890 | L | 91.7 | Very high | 89.3 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 174.8 | -74.6 | 169.2 | 0 | 0 | 0 | 112.1 | G886 V887 I892 L893 V894 | G886-L890 WeakPolarHBondContact O-CG 3.09Å; G886-L890 PolarHBondContact O-N 3.41Å; V887-L890 PolarHBondContact O-N 2.86Å; L890-I892 PolarHBondContact O-N 2.95Å; L890-L893 PolarHBondContact O-N 3.5Å; L890-V894 WeakPolarHBondContact O-CG2 2.99Å; L890-V894 PolarHBondContact O-N 2.87Å |
| 891 | A | 92.1 | Very high | 89.1 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V887 F888 V894 F895 | V887-A891 PolarHBondContact O-N 2.72Å; F888-A891 PolarHBondContact O-N 3.06Å; A891-V894 PolarHBondContact O-N 3.27Å; A891-F895 WeakPolarHBondContact O-CB 3.39Å; A891-F895 PolarHBondContact O-N 2.96Å |
| 892 | I | 92 | Very high | 88.5 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 45% | 0.451 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.1 | -68.6 | 165.5 | 0 | 0 | 0 | 111.2 | F888 C889 L890 F895 L896 | F888-I892 HydrophobicContact CD1-CD1 4.08Å; F888-I892 WeakPolarHBondContact O-CG1 3.44Å; F888-I892 PolarHBondContact O-N 2.67Å; C889-I892 PolarHBondContact O-N 2.97Å; L890-I892 PolarHBondContact O-N 2.95Å; I892-F895 PolarHBondContact O-N 2.79Å; I892-L896 HydrophobicContact CG2-CD1 3.93Å; I892-L896 HydrophobicContact CG2-CG 4.39Å; I892-L896 WeakPolarHBondContact O-CG 3.3Å; I892-L896 PolarHBondContact O-N 2.97Å |
| 893 | L | 92.3 | Very high | 87.9 | Confident | 101 Ų | 101 | 94 Ų | 94 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.6 | -74.1 | 169.7 | 0 | 0 | 0 | 112.4 | C889 L890 F895 L896 V897 | C889-L893 WeakPolarHBondContact O-CG 3.4Å; C889-L893 PolarHBondContact O-N 2.88Å; L890-L893 PolarHBondContact O-N 3.5Å; L893-F895 VanDerWaalsContact C-N 3.33Å; L893-F895 PolarHBondContact O-N 2.86Å; L893-L896 PolarHBondContact O-N 3.15Å; L893-V897 WeakPolarHBondContact O-CG2 3.4Å; L893-V897 PolarHBondContact O-N 2.91Å |
| 894 | V | 91.3 | Very high | 87.4 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 175 | 171 | 0 | 0 | 0 | 0 | 111.1 | L890 A891 N898 | L890-V894 WeakPolarHBondContact O-CG2 2.99Å; L890-V894 PolarHBondContact O-N 2.87Å; A891-V894 PolarHBondContact O-N 3.27Å; V894-N898 WeakPolarHBondContact O-CB 3.48Å; V894-N898 PolarHBondContact O-N 3.24Å; V894-N898 VanDerWaalsContact O-N 3.1Å |
| 895 | F | 89.9 | Confident | 86.5 | Confident | 138 Ų | 138 | 96.9 Ų | 96.9 | 61% | 0.605 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 175.4 | -176 | -99.5 | 0 | 0 | 0 | 111.9 | A891 I892 L893 V897 N898 C899 | A891-F895 WeakPolarHBondContact O-CB 3.39Å; A891-F895 PolarHBondContact O-N 2.96Å; I892-F895 PolarHBondContact O-N 2.79Å; L893-F895 VanDerWaalsContact C-N 3.33Å; L893-F895 PolarHBondContact O-N 2.86Å; F895-V897 PolarHBondContact O-N 3.04Å; F895-N898 PolarHBondContact O-N 2.85Å; F895-N898 VanDerWaalsContact O-N 3.15Å; F895-C899 VanDerWaalsContact CE1-SG 3.55Å; F895-C899 PolarHBondContact O-N 2.79Å; F895-C899 PolarHBondContact O-SG 3.24Å |
| 896 | L | 90.2 | Very high | 85.2 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.9 | -73.1 | 170.1 | 0 | 0 | 0 | 112.5 | I892 L893 N898 C899 I900 | I892-L896 HydrophobicContact CG2-CD1 3.93Å; I892-L896 HydrophobicContact CG2-CG 4.39Å; I892-L896 WeakPolarHBondContact O-CG 3.3Å; I892-L896 PolarHBondContact O-N 2.97Å; L893-L896 PolarHBondContact O-N 3.15Å; L896-N898 VanDerWaalsContact C-N 3.27Å; L896-N898 PolarHBondContact O-N 2.79Å; L896-C899 PolarHBondContact O-N 3.13Å; L896-I900 WeakPolarHBondContact O-CB 3.44Å; L896-I900 VanDerWaalsContact O-CG1 3.27Å; L896-I900 WeakPolarHBondContact O-CG1 3.38Å; L896-I900 PolarHBondContact O-N 2.68Å |
| 897 | V | 90.5 | Very high | 83.8 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.4 | -38.4 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L893 F895 S901 | L893-V897 WeakPolarHBondContact O-CG2 3.4Å; L893-V897 PolarHBondContact O-N 2.91Å; F895-V897 PolarHBondContact O-N 3.04Å; V897-S901 WeakPolarHBondContact O-CB 3.45Å; V897-S901 PolarHBondContact O-N 2.8Å; V897-S901 PolarHBondContact O-OG 2.85Å |
| 898 | N | 84.1 | Confident | 81.8 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.9 | -42.8 | 178.3 | -155.6 | 2.1 | 0 | 0 | 0 | 111.7 | V894 F895 L896 S901 Y902 | V894-N898 WeakPolarHBondContact O-CB 3.48Å; V894-N898 PolarHBondContact O-N 3.24Å; V894-N898 VanDerWaalsContact O-N 3.1Å; F895-N898 PolarHBondContact O-N 2.85Å; F895-N898 VanDerWaalsContact O-N 3.15Å; L896-N898 VanDerWaalsContact C-N 3.27Å; L896-N898 PolarHBondContact O-N 2.79Å; N898-S901 WeakPolarHBondContact O-CB 2.99Å; N898-S901 PolarHBondContact O-N 3.27Å; N898-Y902 PolarHBondContact O-N 3.14Å |
| 899 | C | 82.9 | Confident | 79.9 | Confident | 53 Ų | 53 | 112.5 Ų | 112.5 | 36% | 0.358 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.4 | -46.1 | 172.8 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | F895 L896 S901 Y902 V903 | F895-C899 VanDerWaalsContact CE1-SG 3.55Å; F895-C899 PolarHBondContact O-N 2.79Å; F895-C899 PolarHBondContact O-SG 3.24Å; L896-C899 PolarHBondContact O-N 3.13Å; C899-S901 VanDerWaalsContact C-N 3.34Å; C899-S901 PolarHBondContact O-N 3.39Å; C899-Y902 WeakPolarHBondContact O-CB 3.35Å; C899-Y902 PolarHBondContact O-N 2.89Å; C899-V903 WeakPolarHBondContact O-CG2 3.43Å; C899-V903 PolarHBondContact O-N 3.26Å |
| 900 | I | 85.8 | Confident | 77.5 | Confident | 107 Ų | 107 | 118.7 Ų | 118.7 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.3 | -44.7 | 176.3 | -68.6 | 165.4 | 0 | 0 | 0 | 110.2 | L896 Y902 V903 V904 | L896-I900 WeakPolarHBondContact O-CB 3.44Å; L896-I900 VanDerWaalsContact O-CG1 3.27Å; L896-I900 WeakPolarHBondContact O-CG1 3.38Å; L896-I900 PolarHBondContact O-N 2.68Å; I900-Y902 VanDerWaalsContact C-N 3.28Å; I900-Y902 PolarHBondContact O-N 3.28Å; I900-V903 PolarHBondContact O-N 2.99Å; I900-V904 HydrophobicContact CG2-CG2 4.31Å; I900-V904 WeakPolarHBondContact O-CB 3.4Å; I900-V904 WeakPolarHBondContact O-CG2 3.44Å; I900-V904 PolarHBondContact O-N 2.92Å |
| 901 | S | 77.6 | Confident | 75 | Confident | 57 Ų | 57 | 119.1 Ų | 119.1 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.1 | -37.7 | 176.4 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | V897 N898 C899 K905 | V897-S901 WeakPolarHBondContact O-CB 3.45Å; V897-S901 PolarHBondContact O-N 2.8Å; V897-S901 PolarHBondContact O-OG 2.85Å; N898-S901 WeakPolarHBondContact O-CB 2.99Å; N898-S901 PolarHBondContact O-N 3.27Å; C899-S901 VanDerWaalsContact C-N 3.34Å; C899-S901 PolarHBondContact O-N 3.39Å; S901-K905 WeakPolarHBondContact O-CB 3.44Å; S901-K905 WeakPolarHBondContact O-CG 3.23Å; S901-K905 PolarHBondContact O-N 2.96Å |
| 902 | Y | 77.4 | Confident | 72.5 | Confident | 160 Ų | 160 | 122.8 Ų | 122.8 | 63% | 0.627 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.9 | -47.5 | 176.3 | -162.7 | -88.6 | 0 | 0 | 0 | 111.7 | N898 C899 I900 V904 K905 F906 | N898-Y902 PolarHBondContact O-N 3.14Å; C899-Y902 WeakPolarHBondContact O-CB 3.35Å; C899-Y902 PolarHBondContact O-N 2.89Å; I900-Y902 VanDerWaalsContact C-N 3.28Å; I900-Y902 PolarHBondContact O-N 3.28Å; Y902-V904 PolarHBondContact O-N 2.69Å; Y902-K905 PolarHBondContact O-N 3.46Å; Y902-F906 AromaticContact CE1-CD2 3.99Å; Y902-F906 HydrophobicContact CE1-CD2 3.99Å; Y902-F906 HydrophobicContact CE1-CE2 4.3Å; Y902-F906 PolarHBondContact O-N 3.07Å |
| 903 | V | 76.7 | Confident | 70.1 | Confident | 85 Ų | 85 | 124.3 Ų | 124.3 | 52% | 0.515 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62.4 | -41.7 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | C899 I900 F906 R907 | C899-V903 WeakPolarHBondContact O-CG2 3.43Å; C899-V903 PolarHBondContact O-N 3.26Å; I900-V903 PolarHBondContact O-N 2.99Å; V903-F906 PolarHBondContact O-N 3.35Å; V903-R907 PolarHBondContact O-N 2.74Å |
| 904 | V | 76.6 | Confident | 67.4 | Low | 72 Ų | 72 | 129 Ų | 129 | 44% | 0.436 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.3 | -45.3 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | I900 Y902 F906 R907 H908 | I900-V904 HydrophobicContact CG2-CG2 4.31Å; I900-V904 WeakPolarHBondContact O-CB 3.4Å; I900-V904 WeakPolarHBondContact O-CG2 3.44Å; I900-V904 PolarHBondContact O-N 2.92Å; Y902-V904 PolarHBondContact O-N 2.69Å; V904-F906 PolarHBondContact O-N 2.82Å; V904-R907 PolarHBondContact O-N 3.38Å; V904-R907 VanDerWaalsContact O-N 3.13Å; V904-H908 PolarHBondContact O-CD2 2.63Å; V904-H908 PolarHBondContact O-N 2.94Å |
| 905 | K | 69.3 | Low | 64.5 | Low | 167 Ų | 167 | 127.1 Ų | 127.1 | 73% | 0.726 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.5 | -35 | 173.7 | -82.9 | -175.7 | 176.4 | 177.1 | 0 | 112.8 | S901 Y902 | S901-K905 WeakPolarHBondContact O-CB 3.44Å; S901-K905 WeakPolarHBondContact O-CG 3.23Å; S901-K905 PolarHBondContact O-N 2.96Å; Y902-K905 PolarHBondContact O-N 3.46Å |
| 906 | F | 63.2 | Low | 61.6 | Low | 148 Ų | 148 | 129.9 Ų | 129.9 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 176.1 | -129.1 | -83.3 | 0 | 0 | 0 | 112.6 | Y902 V903 V904 H908 K909 | Y902-F906 AromaticContact CE1-CD2 3.99Å; Y902-F906 HydrophobicContact CE1-CD2 3.99Å; Y902-F906 HydrophobicContact CE1-CE2 4.3Å; Y902-F906 PolarHBondContact O-N 3.07Å; V903-F906 PolarHBondContact O-N 3.35Å; V904-F906 PolarHBondContact O-N 2.82Å; F906-H908 PolarHBondContact O-N 2.64Å; F906-K909 PolarHBondContact O-N 3.23Å |
| 907 | R | 60.2 | Low | 58.6 | Low | 217 Ų | 217 | 133.8 Ų | 133.8 | 82% | 0.819 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.1 | -21.4 | 179.5 | -74.8 | -160.7 | 167.2 | -154.7 | -3.5 | 114.8 | V903 V904 K909 | V903-R907 PolarHBondContact O-N 2.74Å; V904-R907 PolarHBondContact O-N 3.38Å; V904-R907 VanDerWaalsContact O-N 3.13Å; R907-K909 VanDerWaalsContact C-N 3.26Å; R907-K909 PolarHBondContact O-N 3.26Å |
| 908 | H | 51.2 | Low | 56.5 | Low | 160 Ų | 160 | 134 Ų | 134 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 4.7 | 173.8 | -78.3 | -72.3 | 0 | 0 | 0 | 114.9 | V904 F906 | V904-H908 PolarHBondContact O-CD2 2.63Å; V904-H908 PolarHBondContact O-N 2.94Å; F906-H908 PolarHBondContact O-N 2.64Å |
| 909 | K | 52.6 | Low | 54.2 | Low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | trans | -116.3 | 93.2 | 170.8 | -73.8 | -168.6 | 174.6 | -173.2 | 0 | 112.1 | F906 R907 | F906-K909 PolarHBondContact O-N 3.23Å; R907-K909 VanDerWaalsContact C-N 3.26Å; R907-K909 PolarHBondContact O-N 3.26Å | ||
| 910 | K | 40.7 | Very low | 51.6 | Low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -131.1 | 135.7 | 158.5 | -79.5 | -167.3 | 171.7 | -169.5 | 0 | 110.2 | ||||
| 911 | P | 38.6 | Very low | 49.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -75.4 | 164.7 | 172.2 | 32.1 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 912 | P | 39.1 | Very low | 46.7 | Very low | 136 Ų | 136 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -83.5 | 177.6 | -170.7 | 34.4 | -37.5 | 0 | 0 | 0 | 115.2 | ||||
| 913 | S | 42.6 | Very low | 44.7 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -103.1 | 149.7 | -163.9 | 53.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 914 | H | 34.6 | Very low | 42.7 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 93% | 0.931 | 78% | 0.78 | S | S | * | * | trans | -154.9 | 151.7 | 165.7 | -140 | 69.4 | 0 | 0 | 0 | 107.6 | ||||
| 915 | G | 30.7 | Very low | 40.8 | Very low | 60 Ų | 60 | 161.5 Ų | 161.5 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | cis | 165.5 | 108.4 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 916 | Q | 28.3 | Very low | 39 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 78.1 | 170.6 | 161.3 | -145.3 | 155.1 | -1.1 | 0 | 0 | 120.4 | ||||
| 917 | E | 28.1 | Very low | 37.6 | Very low | 170 Ų | 170 | 162.7 Ų | 162.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -97.2 | -174.3 | -159.2 | -93.6 | -176.5 | 117 | 0 | 0 | 115.3 | ||||
| 918 | P | 46.8 | Very low | 36.4 | Very low | 94 Ų | 94 | 159.3 Ų | 159.3 | 61% | 0.61 | 81% | 0.813 | S | S | * | * | cis | -140.1 | -174 | -32.3 | 37.7 | -19 | 0 | 0 | 0 | 114.9 | ||||
| 919 | T | 34.9 | Very low | 35.3 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | 65.2 | 137.1 | 157.1 | 52.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 920 | G | 28.4 | Very low | 34.3 | Very low | 81 Ų | 81 | 152.3 Ų | 152.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 149.7 | 120.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 921 | H | 33.9 | Very low | 33.8 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -94.7 | 139.8 | 175.1 | -61.5 | -88.6 | 0 | 0 | 0 | 112.4 | ||||
| 922 | R | 28.1 | Very low | 33.3 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | -172.1 | 176.6 | 118.8 | -106.4 | 177.8 | 178.7 | -139.2 | -3 | 113.4 | |||||
| 923 | H | 34.5 | Very low | 32.8 | Very low | 162 Ų | 162 | 152 Ų | 152 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -96.7 | 161.5 | -164.6 | -80.9 | 42.4 | 0 | 0 | 0 | 114.6 | ||||
| 924 | D | 34.4 | Very low | 32.2 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | trans | 47.1 | 120.8 | 145.8 | -51.5 | -20.2 | 0 | 0 | 0 | 120.9 | ||||
| 925 | W | 37.2 | Very low | 32 | Very low | 268 Ų | 268 | 149.1 Ų | 149.1 | 100% | 1.015 | 80% | 0.798 | S | S | * | * | trans | -129.9 | 152.7 | 132 | -85.1 | -15.6 | 0 | 0 | 0 | 110.4 | ||||
| 926 | V | 31.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | -106.3 | 153.4 | -172.7 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 927 | W | 32.8 | Very low | 31.6 | Very low | 225 Ų | 225 | 151.8 Ų | 151.8 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | 172.8 | 167.1 | 123.2 | -95.3 | 95.7 | 0 | 0 | 0 | 113.4 | |||||
| 928 | L | 35.8 | Very low | 31.7 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -67.6 | 158.3 | -170.7 | -60.2 | 170.1 | 0 | 0 | 0 | 113.7 | ||||
| 929 | G | 28.2 | Very low | 30.9 | Very low | 80 Ų | 80 | 151.5 Ų | 151.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -142.1 | 128.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 930 | T | 30.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | -127.6 | 141.4 | 175.4 | -22 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 931 | D | 31.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | 66.8 | 148.4 | 157.7 | -61.9 | -30.1 | 0 | 0 | 0 | 122.8 | ||||
| 932 | A | 28.8 | Very low | 30.6 | Very low | 91 Ų | 91 | 148.6 Ų | 148.6 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | 68.7 | 83 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 933 | E | 28.2 | Very low | 30.5 | Very low | 203 Ų | 203 | 143 Ų | 143 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -88.4 | 131.2 | 146 | -172.4 | 171.9 | -133.2 | 0 | 0 | 109.3 | ||||
| 934 | L | 28.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 114.6 | -169.6 | -154.1 | 149.5 | 0 | 0 | 0 | 112.1 | ||||
| 935 | V | 30.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | 45.3 | 106.9 | 160.8 | -174.4 | 0 | 0 | 0 | 0 | 117.8 | T937 | V935-T937 HydrophobicContact CG1-CG2 4.41Å; V935-T937 PolarHBondContact O-N 3.14Å | ||
| 936 | M | 26.1 | Very low | 29.2 | Very low | 186 Ų | 186 | 136 Ų | 136 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -59.2 | 124.9 | 156.6 | -76.8 | -79 | -179.1 | 0 | 0 | 111.5 | ||||
| 937 | T | 26.4 | Very low | 29 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -135.4 | 140 | 158.5 | 25.3 | 0 | 0 | 0 | 0 | 110.5 | V935 | V935-T937 HydrophobicContact CG1-CG2 4.41Å; V935-T937 PolarHBondContact O-N 3.14Å | ||
| 938 | V | 29.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -90.4 | 139.9 | -170.4 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 939 | P | 29.6 | Very low | 28.5 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -90.8 | 157.5 | -166.6 | 35.6 | -37.3 | 0 | 0 | 0 | 114.5 | ||||
| 940 | C | 22.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | trans | -148.8 | 138.2 | 153 | -143.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 941 | S | 24.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -108.2 | -169.6 | -166.7 | -29 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 942 | P | 44.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -125.1 | -172.7 | -48.8 | 34.8 | -18.5 | 0 | 0 | 0 | 111.1 | ||||
| 943 | V | 25.4 | Very low | 28 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | 179.1 | 154.6 | 128.1 | 144.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 944 | Q | 27.2 | Very low | 28.1 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -57.9 | 168.8 | 174.3 | -73.3 | 158.1 | -78.5 | 0 | 0 | 114.2 | ||||
| 945 | Q | 26 | Very low | 27.8 | Very low | 133 Ų | 133 | 131 Ų | 131 | 62% | 0.621 | 77% | 0.767 | S | S | * | * | cis | -160.2 | 175.3 | 8.3 | -136.8 | 166.1 | -98.2 | 0 | 0 | 114 | ||||
| 946 | D | 24.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 162.7 | 146.1 | -68.3 | -27.9 | 0 | 0 | 0 | 121.3 | ||||
| 947 | S | 27.1 | Very low | 27.7 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | -145.3 | -151.7 | -152.7 | 73 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 948 | H | 30.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 71.7 | 145.9 | -174.9 | -38 | -71.3 | 0 | 0 | 0 | 113.6 | ||||
| 949 | T | 29.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | cis | -120.2 | 160.7 | 7.3 | 43.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 950 | A | 27.2 | Very low | 28.3 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -137.5 | 144.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 951 | T | 27.3 | Very low | 28.6 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -175.9 | 136.6 | 154.7 | 36.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 952 | T | 28.1 | Very low | 28.8 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | 63.5 | 146 | 42.9 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 953 | V | 25.5 | Very low | 28.1 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | cis | -129.8 | 177.6 | 5.7 | -150.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 954 | I | 29.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | -173 | 149.9 | 76.7 | -77.1 | 175.5 | 0 | 0 | 0 | 107.9 | |||||
| 955 | D | 23.8 | Very low | 28.2 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -129.5 | -173.5 | 172.6 | -168 | 0.4 | 0 | 0 | 0 | 108.8 | ||||
| 956 | I | 27.8 | Very low | 28.2 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 98.1 | 134.6 | 172.2 | -51.9 | 156.9 | 0 | 0 | 0 | 115.8 | ||||
| 957 | G | 25.8 | Very low | 28.4 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -92 | -133.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 958 | P | 41.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -138.2 | -169.9 | -1 | 40.9 | -20.6 | 0 | 0 | 0 | 115.5 | ||||
| 959 | D | 26 | Very low | 28.9 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | 72.6 | 118.6 | 147.6 | -103.8 | 17.3 | 0 | 0 | 0 | 124.8 | ||||
| 960 | K | 31 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 70% | 0.7 | 79% | 0.787 | S | S | * | * | trans | 89.7 | 119.5 | 130.3 | -79.4 | 175.7 | -179.2 | 126.1 | 0 | 124.7 | ||||
| 961 | T | 28.5 | Very low | 28.8 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 93.4 | 141.7 | 134.4 | 52.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 962 | A | 28.8 | Very low | 29 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 65.5 | 131.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 963 | S | 29.8 | Very low | 29 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -157 | -176.8 | -4.9 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 964 | L | 28.4 | Very low | 29 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | 84.4 | 105.2 | 171.8 | -63.7 | 168.8 | 0 | 0 | 0 | 120.1 | ||||
| 965 | S | 25.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -52.5 | 167.4 | 155.4 | -89 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 966 | R | 26.9 | Very low | 29.3 | Very low | 237 Ų | 237 | 134.4 Ų | 134.4 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | cis | -154.9 | 175 | 4.3 | -128.4 | 165.8 | -156.1 | -159.3 | 3.9 | 112 | ||||
| 967 | R | 28.5 | Very low | 29.4 | Very low | 238 Ų | 238 | 131.6 Ų | 131.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 161.9 | 178.6 | -90 | -175.2 | 174.7 | 175.6 | -1.7 | 115 | ||||
| 968 | P | 41.3 | Very low | 30.5 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -88.3 | 159.3 | 174.2 | 37.2 | -36.4 | 0 | 0 | 0 | 113.8 | ||||
| 969 | S | 26.6 | Very low | 30.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -165.2 | 150 | 162.5 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 970 | C | 27.6 | Very low | 30 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 150.1 | 173.8 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 971 | L | 28.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -150.6 | 151.7 | 161.9 | -108 | 173.1 | 0 | 0 | 0 | 109.5 | ||||
| 972 | A | 29.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -134.5 | 140.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 973 | S | 27.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -161.4 | 129.8 | 163.5 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 974 | A | 27.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -149 | 125.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 975 | T | 30.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -96.1 | 149.7 | 177.1 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 976 | D | 27.5 | Very low | 29.8 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | -161.8 | -174.8 | 68.7 | -118.8 | -61 | 0 | 0 | 0 | 116.7 | |||||
| 977 | S | 30.6 | Very low | 30 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -90.5 | -178.9 | -165.8 | -51.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 978 | P | 48.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -144.6 | -172.9 | 8.4 | 43.6 | -23.2 | 0 | 0 | 0 | 118.6 | ||||
| 979 | L | 31.7 | Very low | 30.3 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 92.3 | 120.2 | 153.6 | -75.1 | 162.7 | 0 | 0 | 0 | 123 | ||||
| 980 | S | 25.9 | Very low | 30.5 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 93.9 | 82 | 134.7 | -159.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 981 | C | 24.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 67.3 | 141.9 | 121.4 | -62.6 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 982 | A | 27.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 66 | 122.5 | 162 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 983 | S | 26.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | cis | 79.1 | 146.1 | 45.6 | 95.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 984 | S | 29.8 | Very low | 30.2 | Very low | 85 Ų | 85 | 129 Ų | 129 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | cis | -161 | 169.6 | 4.8 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 985 | H | 29 | Very low | 30.3 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 171.5 | 150.8 | -68.1 | -40.9 | 0 | 0 | 0 | 120.3 | ||||
| 986 | R | 28.9 | Very low | 30.3 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | -165.1 | 154 | -53.2 | -144.5 | -169.8 | -169 | -176.3 | 2.2 | 109.5 | |||||
| 987 | T | 30.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 58.1 | 120.7 | 153.3 | 39.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 988 | N | 32.6 | Very low | 30.9 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -43.5 | 159.4 | 145.1 | -75.1 | -11.1 | 0 | 0 | 0 | 113.4 | ||||
| 989 | P | 44.5 | Very low | 30 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -157.2 | 168.2 | 58.7 | 43.4 | -21.7 | 0 | 0 | 0 | 121.3 | |||||
| 990 | I | 29.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 38.1 | 121.4 | 137.9 | -57.9 | 164.3 | 0 | 0 | 0 | 119.7 | ||||
| 991 | Q | 28.1 | Very low | 30.3 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | -174.2 | 155.9 | 101.2 | -139.5 | 169.2 | -14.2 | 0 | 0 | 115.7 | |||||
| 992 | S | 27.4 | Very low | 30.7 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | 0.2 | 143.1 | 160.4 | 59.3 | 0 | 0 | 0 | 0 | 125 | ||||
| 993 | E | 25.6 | Very low | 31 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 66.4 | 151.4 | 134.6 | -73.1 | -179.2 | -177.2 | 0 | 0 | 121.1 | ||||
| 994 | S | 27.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 153.6 Ų | 153.6 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | cis | -159.3 | 173.1 | -15.7 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 995 | L | 28.6 | Very low | 31.6 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 45.7 | 108.3 | 154.5 | -66.7 | 165.6 | 0 | 0 | 0 | 119.9 | ||||
| 996 | H | 29.8 | Very low | 31.7 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | -174.1 | 151.3 | 117 | -98.6 | 39.3 | 0 | 0 | 0 | 112 | |||||
| 997 | S | 29.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -106.7 | -174.7 | 176 | -43.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 998 | P | 42.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 155 Ų | 155 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -136.2 | -160.2 | -6.7 | 32.2 | -8 | 0 | 0 | 0 | 114 | ||||
| 999 | T | 29.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 109 | 132.9 | 150.9 | 74.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1000 | S | 32.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 38.3 | 105.2 | 147.6 | -161.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1001 | K | 31.7 | Very low | 31.8 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -134.5 | 96.4 | 151.5 | -76.7 | -166.5 | 176.5 | 177.1 | 0 | 113.2 | K1003 | K1001-K1003 PolarHBondContact O-N 3.31Š| ||
| 1002 | R | 33.4 | Very low | 32 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 98.9 | 167.4 | -173.6 | -176 | -166 | 177.6 | 6 | 109.6 | R1004 | R1002-R1004 PolarHBondContact O-N 3.19Š| ||
| 1003 | K | 32 | Very low | 32.2 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -66 | 122.3 | 174.7 | -89.9 | -171.2 | 175.2 | -178.5 | 0 | 110.3 | K1001 | K1001-K1003 PolarHBondContact O-N 3.31Š| ||
| 1004 | R | 32.9 | Very low | 32.5 | Very low | 245 Ų | 245 | 160 Ų | 160 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -111.6 | 118.9 | 167.7 | -159.4 | 179.6 | -163.9 | 173.9 | 3.6 | 106.3 | R1002 | R1002-R1004 PolarHBondContact O-N 3.19Š| ||
| 1005 | V | 36.6 | Very low | 32.8 | Very low | 110 Ų | 110 | 163.7 Ų | 163.7 | 67% | 0.667 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 132.7 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1006 | Q | 31 | Very low | 33 | Very low | 186 Ų | 186 | 164.5 Ų | 164.5 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 135.5 | 168 | -74.5 | 174.9 | -83 | 0 | 0 | 109.2 | ||
| 1007 | F | 31.1 | Very low | 33.2 | Very low | 192 Ų | 192 | 163.1 Ų | 163.1 | 84% | 0.842 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 128.4 | 170.5 | -71.2 | -94.4 | 0 | 0 | 0 | 109.4 | ||
| 1008 | T | 33.5 | Very low | 33.5 | Very low | 120 Ų | 120 | 166.2 Ų | 166.2 | 74% | 0.736 | 84% | 0.842 | S | S | * | * | trans | -96.4 | 106.1 | 169.5 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1009 | T | 31.5 | Very low | 32.8 | Very low | 134 Ų | 134 | 170 Ų | 170 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | -76.6 | 126.9 | 172.2 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1010 | F | 40.6 | Very low | 33.1 | Very low | 197 Ų | 197 | 173 Ų | 173 | 86% | 0.864 | 86% | 0.856 | S | S | * | * | trans | -108.5 | 133.8 | 160.2 | -83.3 | -85.1 | 0 | 0 | 0 | 109.5 | ||||
| 1011 | S | 32.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 177.8 Ų | 177.8 | 70% | 0.699 | 86% | 0.863 | S | S | * | * | trans | -102.4 | 160 | 173.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1012 | T | 33 | Very low | 33.2 | Very low | 134 Ų | 134 | 175.5 Ų | 175.5 | 82% | 0.822 | 86% | 0.86 | S | S | * | * | trans | 55.2 | 103.6 | 170.7 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1013 | L | 30.2 | Very low | 33.2 | Very low | 248 Ų | 248 | 169.5 Ų | 169.5 | 100% | 1.298 | 86% | 0.855 | S | S | * | * | -144.8 | 0 | 60.3 | -104.7 | 158.2 | 0 | 0 | 0 | 113.1 |
Retrieved 1,013 of 1,013 residues in 1701.2 ms
(Link to these results)